5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid

C12H6Cl3NO2 — CID 133088231

IUPAC5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)ncc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-6-1-2-7(9(14)3-6)11-4-8(12(17)18)10(15)5-16-11/h1-5H,(H,17,18)
InChIKeyQVXNXEQWAPTIFN-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

About 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid

5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 133088231) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID133088231
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Cl)ncc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-6-1-2-7(9(14)3-6)11-4-8(12(17)18)10(15)5-16-11/h1-5H,(H,17,18)
InChIKeyQVXNXEQWAPTIFN-UHFFFAOYSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-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

2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
5-fluoro-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133088789
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
CID 159095928
4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol
CID 132589039
2-[2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 118836281
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
5-(2,4-dichlorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 133093044

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid (CID 133088231) is 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Cl)ncc1Cl.
What is the InChIKey of 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is QVXNXEQWAPTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-6-1-2-7(9(14)3-6)11-4-8(12(17)18)10(15)5-16-11/h1-5H,(H,17,18).
What are the key properties of 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid?
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid has a molecular weight of 302.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133088231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).