4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid

C12H8FNO2S — CID 81237081

IUPAC4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Sc1ccccc1F
InChIInChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-10-5-6-14-7-8(10)12(15)16/h1-7H,(H,15,16)
InChIKeyYNOBOIOSQNSERU-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid

4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81237081) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID81237081
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Sc1ccccc1F
InChIInChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-10-5-6-14-7-8(10)12(15)16/h1-7H,(H,15,16)
InChIKeyYNOBOIOSQNSERU-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)sulfanylpyridine-3-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-[(3-bromo-4-pyridinyl)sulfanyl]benzoic acid
CID 104776612
4-(4-chlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 13220911
4-fluoropyridine-3-carboxylic acid
CID 2762936
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
4-(methyldisulfanyl)pyridine-3-carboxylic acid
CID 135338592
4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
CID 79007092
3-(2-nitrophenyl)sulfanylpyridine-4-carboxylic acid
CID 114289002
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylic acid
CID 81238875
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
2-[2-fluoro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid
CID 107303398
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid (CID 81237081) is 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid is O=C(O)c1cnccc1Sc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is YNOBOIOSQNSERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-10-5-6-14-7-8(10)12(15)16/h1-7H,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid?
4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81237081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).