3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid

C14H10ClN3O2 — CID 107799280

IUPAC3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cccc(Nc2ccc(Cl)c(C(=O)O)n2)c1C#N
InChIInChI=1S/C14H10ClN3O2/c1-8-3-2-4-11(9(8)7-16)17-12-6-5-10(15)13(18-12)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyRNJDWNGIFHQXNL-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.36
Rot. Bonds3

About 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid

3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid (PubChem CID 107799280) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
PubChem CID107799280
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
SMILESCc1cccc(Nc2ccc(Cl)c(C(=O)O)n2)c1C#N
InChIInChI=1S/C14H10ClN3O2/c1-8-3-2-4-11(9(8)7-16)17-12-6-5-10(15)13(18-12)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyRNJDWNGIFHQXNL-UHFFFAOYSA-N
XLogP3.36
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107799308
5-amino-3-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107800499
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107800146
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
CID 107468702
2-amino-3-(2-cyano-3-methylanilino)benzoic acid
CID 107800519
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid (CID 107799280) is 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid is Cc1cccc(Nc2ccc(Cl)c(C(=O)O)n2)c1C#N.
What is the InChIKey of 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is RNJDWNGIFHQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-3-2-4-11(9(8)7-16)17-12-6-5-10(15)13(18-12)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid?
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107799280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).