4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid

C13H11ClN2O2 — CID 81232618

IUPAC4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-9(6-11(8)14)16-12-4-5-15-7-10(12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBDUYHONJESZDKI-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.49
Rot. Bonds3

About 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid

4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid (PubChem CID 81232618) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
PubChem CID81232618
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-8-2-3-9(6-11(8)14)16-12-4-5-15-7-10(12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBDUYHONJESZDKI-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
4-N-(3-chloro-4-methylphenyl)pyridine-3,4-diamine
CID 29066314
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442
2-methyl-5-[(3-nitro-4-pyridinyl)amino]benzoic acid
CID 63653876
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
2-[[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194766

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid (CID 81232618) is 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid is Cc1ccc(Nc2ccncc2C(=O)O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is BDUYHONJESZDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-2-3-9(6-11(8)14)16-12-4-5-15-7-10(12)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid?
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 262.70 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).