2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid

C12H6Cl2FNO2 — CID 118824902

IUPAC2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(10(14)3-6)11-9(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18)
InChIKeyLCRBAASZSREMET-UHFFFAOYSA-N
MW286.09 g/mol
LogP3.89
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid (PubChem CID 118824902) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
PubChem CID118824902
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(10(14)3-6)11-9(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18)
InChIKeyLCRBAASZSREMET-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

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Related Compounds

5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylic acid
CID 133089990
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
5-chloro-2-(2,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 133088231
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 133089659
3-(2,4-dichlorophenyl)-2,5-difluoropyridine
CID 133090808
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
2-(2,4-dichlorophenyl)-5-methylpyridine-4-carboxylic acid
CID 118824898
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid (CID 118824902) is 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid?
The InChIKey is LCRBAASZSREMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-6-1-2-8(10(14)3-6)11-9(12(17)18)4-7(15)5-16-11/h1-5H,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid?
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-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-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 118824902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).