2-Amino-5-bromo-3-pyridinemethanol - ≥98% , CAS No.335031-01-1

CAS: 335031-01-1 Cat. No.: A140189 Molecular Weight: 203.04 Beilstein Registry Number: 9387621

GRADE & PURITY ≥98%

Synonyms

AM20070220 | EN300-213226 | AB22233 | FT-0602738 | AC-3563 | 2-amino-3-hyroxymethyl-5-bromopyridine | MFCD05664025 | J-500627 | SCHEMBL514211 | Z1741973231 | (2-Amino-5-bromo-3-pyridinyl)methanol | 2-Amino-5-bromo-3-pyridinemethanol | 3-Pyridinemethanol,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AM20070220 | EN300-213226 | AB22233 | FT-0602738 | AC-3563 | 2-amino-3-hyroxymethyl-5-bromopyridine | MFCD05664025 | J-500627 | SCHEMBL514211 | Z1741973231 | (2-Amino-5-bromo-3-pyridinyl)methanol | 2-Amino-5-bromo-3-pyridinemethanol | 3-Pyridinemethanol,

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196895
• Canonical Smiles: C1=C(C=NC(=C1CO)N)Br
• IUPAC Name: (2-amino-5-bromopyridin-3-yl)methanol
• InChIKey: HIVQAWXDBPYNDU-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2O/c7-5-1-4(3-10)6(8)9-2-5/h1-2,10H,3H2,(H2,8,9)
• Isomeric SMILES: C1=C(C=NC(=C1CO)N)Br
• Molecular Weight: 203.04
• Beilstein: 9387621
• Reaxy-Rn: 9387621
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9387621&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in Acetone, Ethyl Acetate and Methanol
• Molecular Weight: 203.040 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.974 Da
• Monoisotopic Mass: 201.974 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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