4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid

C12H7Cl2FN2O2 — CID 83079420

IUPAC4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-8-3-6(15)4-9(14)11(8)17-10-1-2-16-5-7(10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyFAXKCMNYPVIWDW-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.97
Rot. Bonds3

About 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid

4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 83079420) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID83079420
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H7Cl2FN2O2/c13-8-3-6(15)4-9(14)11(8)17-10-1-2-16-5-7(10)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyFAXKCMNYPVIWDW-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-dichloro-4-fluoroanilino)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

4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
CID 83078813
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
3-(2-chloro-4,6-difluoroanilino)pyridine-4-carbothioamide
CID 83087296
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid (CID 83079420) is 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is FAXKCMNYPVIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-8-3-6(15)4-9(14)11(8)17-10-1-2-16-5-7(10)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 301.10 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 83079420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).