CAS 7579-20-6|CAS 7529-20-6|3-Aminoisonicotinic acid|3-aminopyridine-4-carboxylic acid|3-aminopyridine-4-carboxylic acid|3-Aminopyridine-4-carboxylic acid|3-Amino-4-carboxypyridine|3-aminopyridine-4...

General Information

Structure

Molecular Formula

C₆H₆N₂O₂

Molecular Mass

138.12404

Exact Mass

138.04292744

Charge

InChI

InChI=1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)

InChIKey

FYEQKMAVRYRMBL-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1ccncc1N

Isomeric Smiles

c1(C(=O)O)c(N)cncc1

Calculated Properties

JChem

Acid pKa

4.3780713

H Acceptors

H Donor

LogD (pH = 5.5)

-0.9587417

LogD (pH = 7.4)

-2.7017367

Log P

0.029902669

Molar Refractivity

35.8577

Polarizability

12.960805

Polar Surface Area

76.21

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-aminopyridine-4-carboxylic acid

Synonyms

3-Aminoisonicotinic acid3-Aminopyridine-4-carboxylic acid3-Amino-4-carboxypyridine3-aminopyridine-4-carboxylic acid3-Amino Isonicotinic Acid3-Amino-4-pyridinecarboxylic Acid3-Amino-4-picoline3-氨基吡啶-4-羧酸3-Aminopyridine-4-carboxylic acid3-Aminoisonicotinic acid3-氨基异烟酸

IUPAC name

3-aminopyridine-4-carboxylic acid

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID