4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile

C9H4FNOS — CID 131030895

IUPAC4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile
SMILESN#Cc1ccc2sc(O)cc2c1F
InChIInChI=1S/C9H4FNOS/c10-9-5(4-11)1-2-7-6(9)3-8(12)13-7/h1-3,12H
InChIKeyJEDUGQCWEWNDNI-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.62
Rot. Bonds

About 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile

4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile (PubChem CID 131030895) has the molecular formula C9H4FNOS and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile
PubChem CID131030895
Molecular FormulaC9H4FNOS
Molecular Weight193.20 g/mol
Exact Mass193.00
IUPAC Name4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile
SMILESN#Cc1ccc2sc(O)cc2c1F
InChIInChI=1S/C9H4FNOS/c10-9-5(4-11)1-2-7-6(9)3-8(12)13-7/h1-3,12H
InChIKeyJEDUGQCWEWNDNI-UHFFFAOYSA-N
XLogP2.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
CID 130816987
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
2,4-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131138258
2,5-dihydroxy-1-benzothiophene-6-carbonitrile
CID 130961153
2-fluoro-4-hydroxy-3-iodobenzonitrile
CID 66988798
2-hydroxy-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130805811
2-fluoro-4-hydroxy-3-methylsulfanylbenzonitrile
CID 117279402
4-fluoro-1-benzofuran-5-carbonitrile
CID 117276103
2,4-dihydroxybenzonitrile
CID 3017520
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
4,5-dihydroxy-1-benzothiophene-2-carbonitrile
CID 130785844
3-(cyanomethyl)-2-fluoro-4-hydroxybenzonitrile
CID 171020824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile?
The IUPAC name of 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile (CID 131030895) is 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile is N#Cc1ccc2sc(O)cc2c1F.
What is the InChIKey of 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile?
The InChIKey is JEDUGQCWEWNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNOS/c10-9-5(4-11)1-2-7-6(9)3-8(12)13-7/h1-3,12H.
What are the key properties of 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile?
4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile has a molecular weight of 193.20 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 131030895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).