2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid

C12H6Cl2FNO2 — CID 118847710

IUPAC2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-8-2-1-6(3-9(8)14)10-4-7(12(17)18)5-11(15)16-10/h1-5H,(H,17,18)
InChIKeyBWELTWZOYZGRAD-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid

2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid (PubChem CID 118847710) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
PubChem CID118847710
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-8-2-1-6(3-9(8)14)10-4-7(12(17)18)5-11(15)16-10/h1-5H,(H,17,18)
InChIKeyBWELTWZOYZGRAD-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)-6-fluoropyridine-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-(2,3-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid
CID 118847536
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091062
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686797
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 133089873
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid (CID 118847710) is 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(F)nc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
The InChIKey is BWELTWZOYZGRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-8-2-1-6(3-9(8)14)10-4-7(12(17)18)5-11(15)16-10/h1-5H,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid?
2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid has a molecular weight of 286.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 118847710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).