Isonicotinic acid - 10mM in DMSO , CAS No.55-22-1

CAS: 55-22-1 Cat. No.: I424705 Molecular Weight: 123.11 Beilstein Registry Number: 109599 EC Number: 200-228-2
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GRADE & PURITY 10mM in DMSO
Synonyms
AC8088 | CHEBI:6032 | STL168892 | DTXSID8020757 | FT-0627426 | Isonicotinic acid, purum, >=99.0% (T) | MN1 | DTXCID80757 | isonicotinicacid | UNII-Y8SYN761TQ | isonicotinic-d4 acid | F2191-0075 | HY-I0736 | BPBio1_001365 | .gamma.-pyridinecarboxylic acid
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
I424705-1ml
1
$27.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 55 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application

Isonicotinic acid (IN) can be used as:

An organocatalyst in the one pot four component condensation reaction, to synthesize pyranopyrazoles based heterocyclic compounds.

An organic ligand for the preparation of copper(I) halide coordination polymer CuBr(IN)n, by hydrothermal method.

As a starting material for the synthesis of cation-dimers with potent antimalarial activity.It acts as an useful isomer of nicotinic acid.

Specifications

Synonyms
AC8088 | CHEBI:6032 | STL168892 | DTXSID8020757 | FT-0627426 | Isonicotinic acid, purum, >=99.0% (T) | MN1 | DTXCID80757 | isonicotinicacid | UNII-Y8SYN761TQ | isonicotinic-d4 acid | F2191-0075 | HY-I0736 | BPBio1_001365 | .gamma.-pyridinecarboxylic acid
Specifications & Purity
10mM in DMSO
Storage
Protected from light, Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CN=CC=C1C(=O)O
IUPAC Namepyridine-4-carboxylic acid
InChIKeyTWBYWOBDOCUKOW-UHFFFAOYSA-N
INCHI1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Isomeric SMILES C1=CN=CC=C1C(=O)O
WGK Germany 2
RTECS NS1103000
Molecular Weight 123.11
Beilstein 109599
Reaxy-Rn 109599
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109599&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids
Alternative Parents Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors pyridinemonocarboxylic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis variant bovis (1746 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityLight sensitive.
Boil Point(°C)260°/15mm
Melt Point(°C)316°C
Molecular Weight123.110 g/mol
XLogP30.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.032 Da
Monoisotopic Mass123.032 Da
Topological Polar Surface Area50.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity108.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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