CAS 23628-31-1 6-Aminopyridine-2-carboxylic acid (HCID 351652)

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Basic information

CAS: 23628-31-1
Standard SMILES: Nc1cccc(C(=O)O)n1
InChIKey: NMCKJFCJIHCHIS-UHFFFAOYSA-N
Molecular formula: C6H6N2O2
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.04292744

Names & identifiers

Preferred name: 6-Aminopyridine-2-carboxylic acid
IUPAC: 6-aminopyridine-2-carboxylic acid
English name: 6-Aminopyridine-2-carboxylic acid
Molecular formula: C6H6N2O2
Molecular weight: 138.12

Names & synonyms

6-Aminopyridine-2-carboxylic acidDTXSID90326004RefChem:540372DTXCID00277119642-727-123628-31-16-Aminopicolinic Acid6-Amino-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-amino-2-aminopyridine-6-carboxylic acid6-Amino-pyridine-2-carboxylic acidPicolinic acid, 6-amino-

Show more names

6-AMINO-ALPHA-PICOLINIC ACID6-Amino-2-Pyridinecarboxylic6-Aminopyridine-2-carboxylic a6-aMinopyridine-2-carbo×ylic acid6-Aminopyridine-2-carboxylicacid97%

MFCD002337116-AMINOPICOLINICACIDNSC-522596R6NBL985SU2-AMINO-6-PYRIDINECARBOXYLIC ACIDCHEMBL33228636-amino-2-picolinic acid6-Aminopyridine-2-carboxylicacid

Database identifiers

CAS: 23628-31-1
PubChem CID: 351652
DTXSID: DTXSID90326004
ChEMBL: CHEMBL3322863
UNII: R6NBL985SU
EC Number: 642-727-1
Nikkaji: J110.482I

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 320 °C · 320°C
Boiling point: 387.8 · 387.8±27.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.49 · 4.49±0.10(Predicted)
color: White to Light yellow
Water Solubility: Soluble in hot water.
InChI: InChI=1S/C6H6N2O2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKey: NMCKJFCJIHCHIS-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(N)=CC=C1
CAS DataBase Reference: 23628 · 23628-31-1(CAS DataBase Reference)
FDA UNII: 6 NBL985SU · R6NBL985SU
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS)

Safety & regulation

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-23/24/25-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T,Xn
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H302-H319
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Applications

UsesIt is an important raw material in organic synthesis, agricultural fields and in dyestuffs.

Uses6-Aminopyridine-2-carboxylic Acid is a reagent used in the preparation of pharmaceuticals, such as ghrelin receptor atagonists. Also used in the preparation of polyamides.