2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid

C14H8FNO3S — CID 106535046

IUPAC2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(Sc2nccc3occc23)ccc1F
InChIInChI=1S/C14H8FNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyQVIRVMVBVWBCNB-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.82
Rot. Bonds3

About 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid

2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid (PubChem CID 106535046) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
PubChem CID106535046
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
SMILESO=C(O)c1cc(Sc2nccc3occc23)ccc1F
InChIInChI=1S/C14H8FNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18)
InChIKeyQVIRVMVBVWBCNB-UHFFFAOYSA-N
XLogP3.82
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Benzyloxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 1478615
2-(((Furan-2-yl)methyl)sulfanyl)pyridine-3-carboxylic acid
CID 17605191
2-[3-(Trifluoromethyl)phenyl]-4-methylsulfanylfuro[3,2-c]pyridine
CID 129734050
2-[2-(1-Benzofuran-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 2810503
4-[(Trifluoromethyl)sulfonyl]furo[3,2-c]pyridine
CID 18399711
4-(4-Fluorophenyl)furo[3,2-c]pyridine
CID 129174831
2-[3-(2-Ethoxy-5-fluorophenyl)-2-oxopropyl]sulfanylpyridine-3-carboxylic acid
CID 161583607
2-Fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid
CID 162519436
3-Fluoro-4-furo[3,2-c]pyridin-4-ylbenzoic acid
CID 162519462
Methyl 2-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate
CID 162519491
Methyl 3-fluoro-4-furo[3,2-c]pyridin-4-ylbenzoate
CID 162519573
4-(2-Fluorofuro[3,2-c]pyridin-4-yl)benzoic acid
CID 175373756

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The IUPAC name of 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid (CID 106535046) is 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The canonical SMILES for 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid is O=C(O)c1cc(Sc2nccc3occc23)ccc1F.
What is the InChIKey of 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
The InChIKey is QVIRVMVBVWBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-11-2-1-8(7-10(11)14(17)18)20-13-9-4-6-19-12(9)3-5-16-13/h1-7H,(H,17,18).
What are the key properties of 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid?
2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid has a molecular weight of 289.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid is sourced from PubChem (CID 106535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).