3-Aminopicolinic acid

HCID 73836

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Basic information

CAS: 1462-86-8
Standard SMILES: Nc1cccnc1C(=O)O
InChIKey: BOOMHTFCWOJWFO-UHFFFAOYSA-N
Molecular formula: C6H6N2O2
Average molar mass: 138.12 g/mol
Monoisotopic mass: 138.04292744

Names & identifiers

Preferred name: 3-Aminopicolinic acid
IUPAC: 3-aminopyridine-2-carboxylic acid
English name: 3-Amino-2-pyridinecarboxylic acid
Molecular formula: C6H6N2O2
Molecular weight: 138.12

Names & synonyms

3-Aminopicolinic acid1462-86-83-Aminopyridine-2-carboxylic acid3-Amino-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-amino-KRX7SG6NCSDTXSID00163301RefChem:92990DTXCID5085792215-971-83-Amino-pyridine-2-carboxylic acidMFCD00090153

Show more names

AKOS 92172H-3APC2-OHIFLAB-BB F2113-0045RARECHEM AQ NN 01763-Amino-α-picolinic acid

3-Amino-2-carboxypyridineCHEMBL36173193-Amino-2-pyridinecarboxylicacidEINECS 215-971-83-Amino-2-picolinic acidBRN 00036003-AminopicolinicacidUNII-KRX7SG6NCS

Database identifiers

CAS: 1462-86-8
PubChem CID: 73836
DTXSID: DTXSID00163301
ChEMBL: CHEMBL3617319
UNII: KRX7SG6NCS
EC Number: 215-971-8
Nikkaji: J298.645K

Properties

Computed structural properties

XLogP: 0.6
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: 218 · 218-220
Boiling point: 386.6 · 386.6±27.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
RTECS: 5175000 · US5175000
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: Soluble in acetone, ethanol and methanol.
pka: 1.32 · 1.32±0.50(Predicted)
form: Solid
color: Yellow to pale brown
InChI: InChI=1S/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)
InChIKey: BOOMHTFCWOJWFO-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=CC=C1N
CAS DataBase Reference: 1462 · 1462-86-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 SG6NCS · KRX7SG6NCS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37-60
HazardClass: IRRITANT
HS Code: 29333990 · 29333990