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

C13H11ClN2O2 — CID 28718

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IUPAC2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyCLOMYZFHNHFSIQ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.49
Rot. Bonds3

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

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 28718) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID28718
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyCLOMYZFHNHFSIQ-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

Niflumic Acid
CID 4488
Flunixin
CID 38081
Metanixin
CID 10466908
Nixylic acid
CID 71827
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
Lysine clonixinate
CID 3080836
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
Anthranilic acid, N-(6-(2-aminopyrimidinyl))-
CID 35750
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
Clonixeril
CID 30823

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (CID 28718) is 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is Cc1c(Cl)cccc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is CLOMYZFHNHFSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
2-(3-chloro-2-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 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 28718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).