6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid

C12H7F2NO2S — CID 62239050

IUPAC6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C12H7F2NO2S/c13-7-4-5-8(14)10(6-7)18-11-3-1-2-9(15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyORBAMTZMFJCZRO-UHFFFAOYSA-N
MW267.26 g/mol
LogP3.21
Rot. Bonds3

About 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid

6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 62239050) has the molecular formula C12H7F2NO2S and a molecular weight of 267.26 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID62239050
Molecular FormulaC12H7F2NO2S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C12H7F2NO2S/c13-7-4-5-8(14)10(6-7)18-11-3-1-2-9(15-11)12(16)17/h1-6H,(H,16,17)
InChIKeyORBAMTZMFJCZRO-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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Related Compounds

6-Fluoropyridine-2-carboxylic acid
CID 226027
5-Cyano-6-[(4-methylphenyl)methylthio]pyridine-2-carboxylic acid
CID 722241
3-Sulfanylpyridine-2,6-dicarboxylic acid
CID 12361214
3-[(4-Fluorobenzoyl)sulfanyl]pyridine-2-carboxylic acid
CID 12361742
6-(Methylsulfanyl)pyridine-2-carboxylic acid
CID 819413
6-Thien-2-ylpyridine-2-carboxylic acid
CID 4739101
3,6-difluoropyridine-2-carboxylic Acid
CID 11286608
6-Methanesulfonylpyridine-2-carboxylic acid
CID 53429615
3-(Propanoylsulfanyl)pyridine-2-carboxylic acid
CID 12361751
5-[(3-Fluorophenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 12457913
4,5,6-Trifluoropyridine-2-carboxylic acid
CID 70496596
6-(2,6-Dioxopiperidin-3-yl)sulfanylpyridine-2-carboxylic acid
CID 142623411

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid (CID 62239050) is 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1cccc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is ORBAMTZMFJCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO2S/c13-7-4-5-8(14)10(6-7)18-11-3-1-2-9(15-11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid?
6-(2,5-difluorophenyl)sulfanylpyridine-2-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 6-(2,5-difluorophenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 62239050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).