5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid

C13H12ClN3O2 — CID 114046976

IUPAC5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H12ClN3O2/c1-7-10(14)3-2-4-11(7)17-12-9(13(18)19)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyOLORGOPAURKGMZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.07
Rot. Bonds3

About 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid

5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 114046976) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID114046976
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncc(N)cc1C(=O)O
InChIInChI=1S/C13H12ClN3O2/c1-7-10(14)3-2-4-11(7)17-12-9(13(18)19)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyOLORGOPAURKGMZ-UHFFFAOYSA-N
XLogP3.07
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
5-amino-N-(3-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 54917147
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
CID 114261298
5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
CID 114047042
5-amino-3-chloro-2-(2,3-dimethylanilino)benzoic acid
CID 107193418
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114253860
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;2,6-diaminohexanoic acid
CID 10047082
5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
5-chloro-1-(3-chloro-2-methylanilino)-N,N-diethylisoquinoline-4-carboxamide
CID 71203941
[(E)-4-[2-(3-chloro-2-methylanilino)pyridine-3-carbonyl]oxybut-2-enyl] 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
CID 164931481

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (CID 114046976) is 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is Cc1c(Cl)cccc1Nc1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is OLORGOPAURKGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-10(14)3-2-4-11(7)17-12-9(13(18)19)5-8(15)6-16-12/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 114046976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).