Pyridine - anhydrous, ≥99.8% , CAS No.110-86-1

CAS: 110-86-1 Cat. No.: P111513 Formula: C₅H₅N Molecular Weight: 79.1 Beilstein Registry Number: 103233 EC Number: 203-809-9

GRADE & PURITY Anhydrous Grade, ≥99.8%

Synonyms

4-pyridine | A802257 | CEFTAZIDIME IMPURITY F [EP IMPURITY] | HSDB 118 | Piridina [Italian] | Pyridine, SAJ first grade, >=99.0% | Pyridine, spectrophotometric grade, >=99% | 2-pyridine | NCIOpen2_007866 | NCIOpen2_007986 | Pesticide Code: 069202 | Pyridi

Storage

Protected from light,Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

4-pyridine | A802257 | CEFTAZIDIME IMPURITY F [EP IMPURITY] | HSDB 118 | Piridina [Italian] | Pyridine, SAJ first grade, >=99.0% | Pyridine, spectrophotometric grade, >=99% | 2-pyridine | NCIOpen2_007866 | NCIOpen2_007986 | Pesticide Code: 069202 | Pyridi

Specifications & Purity

anhydrous, ≥99.8%

Storage

Protected from light,Room temperature,Desiccated

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99.8%

Names and Identifiers

Pubchem Sid

508812911

Canonical Smiles

C1=CC=NC=C1

IUPAC Name

pyridine

InChIKey

JUJWROOIHBZHMG-UHFFFAOYSA-N

INCHI

1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

Isomeric SMILES

C1=CC=NC=C1

WGK Germany

2

RTECS

UR8400000

UN Number

1282

Packing Group

II

Molecular Weight

79.1

Beilstein

103233

Reaxy-Rn

103233

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: a ring

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NAPRT Tchem Nicotinate phosphoribosyltransferase (2 Activities)

Discover Target: NAPRT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NAPRT Tchem Nicotinate phosphoribosyltransferase (37 Activities)

Discover Target: NAPRT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Lithobates pipiens (29 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

E Lysozyme (95 Activities)

Discover Target: E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in most organic solvents such as water, alcohol and ether.
• Sensitivity: Light sensitive.moisture sensitive
• Refractive Index: 1.5092
• Flash Point(°F): 68.0 °F - closed cup
• Flash Point(°C): 20 °C - closed cup
• Boil Point(°C): 115°C
• Melt Point(°C): -42°C
• Molecular Weight: 79.100 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 79.0422 Da
• Monoisotopic Mass: 79.0422 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1