5-Aminopyridine-2-carboxylic acid

HCID 4179726

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Basic information

CAS: 24242-20-4
Standard SMILES: Nc1ccc(C(=O)O)nc1
InChIKey: WDJARUKOMOGTHA-UHFFFAOYSA-N
Molecular formula: C6H6N2O2
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.04292743

Names & identifiers

Preferred name: 5-Aminopyridine-2-carboxylic acid
IUPAC: 5-aminopyridine-2-carboxylic acid
English name: 5-Aminopyridine-2-carboxylic Acid
Molecular formula: C6H6N2O2
Molecular weight: 138.12

Names & synonyms

5-aminopyridine-2-carboxylic acid5-Aminopicolinic acidRefChem:532459640-246-124242-20-45-Amino-2-pyridinecarboxylic acid5-AMINO-2-PICOLINIC ACIDMFCD02684600SCHEMBL249720CHEMBL3617318DTXSID50400359CS-D0614

Show more names

RARECHEM AL BO 14855-amino-2-pyridinecarboxylicaci5-aminopyridine-2-carboxylicaci5-Aminopyridine-2-carboxylic Acid >2-Pyridinecarboxylicacid,5-amino-(9CI)

SB10170SY0043982-Pyridinecarboxylic acid, 5-amino-, labeled with tritium (9CI)EN300-672145-amino-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 5-AMINO-BCP272565-Aminopicolinicacid

Database identifiers

CAS: 24242-20-4
PubChem CID: 4179726
DTXSID: DTXSID50400359
ChEMBL: CHEMBL3617318
EC Number: 640-246-1
Nikkaji: J88.241K

Properties

Computed structural properties

XLogP: 0
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: 222 · 222-223
Boiling point: 420.8 · 420.8±30.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Acetone, Ethanol, Methanol
form: Solid
pka: 1.33 · 1.33±0.50(Predicted)
color: Off-White to Lght Brown
InChI: InChI=1S/C6H6N2O2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,7H2,(H,9,10)
InChIKey: WDJARUKOMOGTHA-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=C(N)C=C1
CAS DataBase Reference: 24242 · 24242-20-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,T,Xn
Risk Statements: 23 · 23/24/25-36/37/38-22
Safety Statements: 26 · 26-36/37/39-45-37
WGK Germany: 3 · 3
TSCA: N
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.