5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid

C13H10ClFN2O2 — CID 79049585

IUPAC5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)cc(Nc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-9(15)5-10(3-7)17-12-11(14)4-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyDLHFQBYYTVWTED-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.62
Rot. Bonds3

About 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid (PubChem CID 79049585) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
PubChem CID79049585
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)cc(Nc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-9(15)5-10(3-7)17-12-11(14)4-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyDLHFQBYYTVWTED-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 81446916
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
6-(3-bromo-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 107584155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid (CID 79049585) is 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid is Cc1cc(F)cc(Nc2ncc(C(=O)O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is DLHFQBYYTVWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-2-9(15)5-10(3-7)17-12-11(14)4-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 79049585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).