2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid

C12H7F2NO2S — CID 43090912

IUPAC2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H7F2NO2S/c13-7-3-4-10(9(14)6-7)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyKLTOTQVGXUBQFG-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.21
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid

2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 43090912) has the molecular formula C12H7F2NO2S and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID43090912
Molecular FormulaC12H7F2NO2S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H7F2NO2S/c13-7-3-4-10(9(14)6-7)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyKLTOTQVGXUBQFG-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid (CID 43090912) is 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid is O=C(O)c1cccnc1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is KLTOTQVGXUBQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2S/c13-7-3-4-10(9(14)6-7)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17).
What are the key properties of 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 43090912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).