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

C12H8FNO2S — CID 43143103

IUPAC4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccccc2F)ccn1
InChIInChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-8-5-6-14-10(7-8)12(15)16/h1-7H,(H,15,16)
InChIKeyHMGHOPDPIPQELI-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.07
Rot. Bonds3

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

4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 43143103) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID43143103
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccccc2F)ccn1
InChIInChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-8-5-6-14-10(7-8)12(15)16/h1-7H,(H,15,16)
InChIKeyHMGHOPDPIPQELI-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid (CID 43143103) is 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid is O=C(O)c1cc(Sc2ccccc2F)ccn1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is HMGHOPDPIPQELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c13-9-3-1-2-4-11(9)17-8-5-6-14-10(7-8)12(15)16/h1-7H,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid?
4-(2-fluorophenyl)sulfanylpyridine-2-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-2-carboxylic acid is sourced from PubChem (CID 43143103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).