5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid

C12H8FNO2S — CID 63674183

IUPAC5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C12H8FNO2S/c13-8-4-5-10(9(7-8)12(15)16)17-11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyTZJWBMIHKRHGHO-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.07
Rot. Bonds3

About 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid

5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid (PubChem CID 63674183) has the molecular formula C12H8FNO2S and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid
PubChem CID63674183
Molecular FormulaC12H8FNO2S
Molecular Weight249.27 g/mol
Exact Mass249.03
IUPAC Name5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C12H8FNO2S/c13-8-4-5-10(9(7-8)12(15)16)17-11-3-1-2-6-14-11/h1-7H,(H,15,16)
InChIKeyTZJWBMIHKRHGHO-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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Related Compounds

2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzoic acid
CID 62702784
5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 63803028
4-chloro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63083040
2-(4-bromophenyl)sulfanyl-5-fluorobenzoic acid
CID 63675209
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
2-(2-carboxy-5-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 69044270
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
2-phenyl-4-pyridin-2-ylsulfanylbenzoic acid
CID 23436249
3-amino-4-(2-carboxy-4-fluorophenyl)sulfanylbenzoic acid
CID 58871989
N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 55240383
N-[2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)phenyl]acetamide
CID 163885553
(5-fluoro-2-hydroxyphenyl)-pyrimidin-2-ylmethanone
CID 105471940

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid?
The IUPAC name of 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid (CID 63674183) is 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid?
The canonical SMILES for 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid is O=C(O)c1cc(F)ccc1Sc1ccccn1.
What is the InChIKey of 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid?
The InChIKey is TZJWBMIHKRHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2S/c13-8-4-5-10(9(7-8)12(15)16)17-11-3-1-2-6-14-11/h1-7H,(H,15,16).
What are the key properties of 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid?
5-fluoro-2-pyridin-2-ylsulfanylbenzoic 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 5-fluoro-2-pyridin-2-ylsulfanylbenzoic acid is sourced from PubChem (CID 63674183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).