2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid

C12H6Cl3NO2 — CID 119000557

IUPAC2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)10-9(12(17)18)1-2-16-11(10)15/h1-5H,(H,17,18)
InChIKeyIRZGLKYIQXNCMW-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

About 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid

2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 119000557) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID119000557
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)10-9(12(17)18)1-2-16-11(10)15/h1-5H,(H,17,18)
InChIKeyIRZGLKYIQXNCMW-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

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-(3,5-dichlorophenyl)pyridine
CID 118995083
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 133090252
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 119009735
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)pyridine-4-carboxylic acid
CID 133089976
6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133088099
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
2-fluoro-3-phenylpyridine-4-carboxylic acid
CID 46314938
1-chloroisoquinoline-5-carboxylic acid
CID 21192483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid (CID 119000557) is 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Cl)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is IRZGLKYIQXNCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)10-9(12(17)18)1-2-16-11(10)15/h1-5H,(H,17,18).
What are the key properties of 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid?
2-chloro-3-(3,5-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 2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).