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

C12H6Cl3NO2 — CID 133088099

IUPAC6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)11-9(12(17)18)1-2-10(15)16-11/h1-5H,(H,17,18)
InChIKeyUUNUUKCFKWLDTQ-UHFFFAOYSA-N
MW302.54 g/mol
LogP4.41
Rot. Bonds2

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

6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 133088099) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
PubChem CID133088099
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)11-9(12(17)18)1-2-10(15)16-11/h1-5H,(H,17,18)
InChIKeyUUNUUKCFKWLDTQ-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

6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
6-chloro-2-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376747
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802662
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
5-(3,5-dichlorophenyl)-1H-indole-3-carboxylic acid
CID 172654759
6-chloro-2-phenylsulfanylpyridine-3-carboxylic acid
CID 63379834
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid (CID 133088099) is 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is UUNUUKCFKWLDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-3-6(4-8(14)5-7)11-9(12(17)18)1-2-10(15)16-11/h1-5H,(H,17,18).
What are the key properties of 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid?
6-chloro-2-(3,5-dichlorophenyl)pyridine-3-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 6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133088099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).