6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

C12H5Cl4NO2 — CID 134637342

IUPAC6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-5-3-7(10(16)8(14)4-5)6-1-2-9(15)17-11(6)12(18)19/h1-4H,(H,18,19)
InChIKeyKLGPCQLQCFWTPF-UHFFFAOYSA-N
MW336.99 g/mol
LogP5.06
Rot. Bonds2

About 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid

6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 134637342) has the molecular formula C12H5Cl4NO2 and a molecular weight of 336.99 g/mol. Its IUPAC name is 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
PubChem CID134637342
Molecular FormulaC12H5Cl4NO2
Molecular Weight336.99 g/mol
Exact Mass334.91
IUPAC Name6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C12H5Cl4NO2/c13-5-3-7(10(16)8(14)4-5)6-1-2-9(15)17-11(6)12(18)19/h1-4H,(H,18,19)
InChIKeyKLGPCQLQCFWTPF-UHFFFAOYSA-N
XLogP5.06
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.99
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-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

6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
3-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134636979
5-chloro-2-(2,3,5-trichlorophenyl)benzoyl chloride
CID 118845592
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3,6-dichloropyridine-2-carboxylic acid;pyridine
CID 137368232
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
2-[5-chloro-2-(2,3,5-trichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134633845
6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
CID 133087067
methyl 6-fluoro-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133090472
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid (CID 134637342) is 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(Cl)ccc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is KLGPCQLQCFWTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2/c13-5-3-7(10(16)8(14)4-5)6-1-2-9(15)17-11(6)12(18)19/h1-4H,(H,18,19).
What are the key properties of 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid?
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid has a molecular weight of 336.99 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 134637342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).