5-amino-2-anilinopyridine-3-carboxylic acid

C12H11N3O2 — CID 82474001

IUPAC5-amino-2-anilinopyridine-3-carboxylic acid
SMILESNc1cnc(Nc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C12H11N3O2/c13-8-6-10(12(16)17)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15)(H,16,17)
InChIKeyBRGJQUKKEZAVPY-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.11
Rot. Bonds3

About 5-amino-2-anilinopyridine-3-carboxylic acid

5-amino-2-anilinopyridine-3-carboxylic acid (PubChem CID 82474001) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-amino-2-anilinopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-anilinopyridine-3-carboxylic acid
PubChem CID82474001
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-amino-2-anilinopyridine-3-carboxylic acid
SMILESNc1cnc(Nc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C12H11N3O2/c13-8-6-10(12(16)17)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15)(H,16,17)
InChIKeyBRGJQUKKEZAVPY-UHFFFAOYSA-N
XLogP2.11
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
CID 114261298
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
CID 114047042
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114253860
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-aminopyridine-2,3-dicarboxylic acid
CID 71695342

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-anilinopyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-anilinopyridine-3-carboxylic acid (CID 82474001) is 5-amino-2-anilinopyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-anilinopyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-anilinopyridine-3-carboxylic acid is Nc1cnc(Nc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-anilinopyridine-3-carboxylic acid?
The InChIKey is BRGJQUKKEZAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-8-6-10(12(16)17)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-amino-2-anilinopyridine-3-carboxylic acid?
5-amino-2-anilinopyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-anilinopyridine-3-carboxylic acid is sourced from PubChem (CID 82474001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).