2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile

C10H6FNOS — CID 130792255

IUPAC2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
SMILESN#Cc1cc(CO)c2sc(F)cc2c1
InChIInChI=1S/C10H6FNOS/c11-9-3-7-1-6(4-12)2-8(5-13)10(7)14-9/h1-3,13H,5H2
InChIKeyVMSMEIJZJKAYGF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.40
Rot. Bonds1

About 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile

2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile (PubChem CID 130792255) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
PubChem CID130792255
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile
SMILESN#Cc1cc(CO)c2sc(F)cc2c1
InChIInChI=1S/C10H6FNOS/c11-9-3-7-1-6(4-12)2-8(5-13)10(7)14-9/h1-3,13H,5H2
InChIKeyVMSMEIJZJKAYGF-UHFFFAOYSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-hydroxy-5-(hydroxymethyl)benzonitrile
CID 131537406
(2-fluoro-7-sulfanyl-1-benzothiophen-6-yl)methanol
CID 130944049
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
3-hydroxy-4-(hydroxymethyl)benzonitrile
CID 18779740
3-ethyl-4-(hydroxymethyl)benzonitrile
CID 24971956
6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile
CID 130914349
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075
2,5,7-trifluoro-1-benzothiophene
CID 130786065
3-(hydroxymethyl)-5-iodo-4-methoxybenzonitrile
CID 131285018
2-chloro-5-cyano-3-(hydroxymethyl)benzoic acid
CID 118991540
4-(4-fluorobenzenecarboximidoyl)-3-(hydroxymethyl)benzonitrile
CID 142939310
2-(hydroxymethyl)-4-sulfanyl-1-benzothiophene-6-carbonitrile
CID 131214285

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile?
The IUPAC name of 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile (CID 130792255) is 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile is N#Cc1cc(CO)c2sc(F)cc2c1.
What is the InChIKey of 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile?
The InChIKey is VMSMEIJZJKAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-9-3-7-1-6(4-12)2-8(5-13)10(7)14-9/h1-3,13H,5H2.
What are the key properties of 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile?
2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-(hydroxymethyl)-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 130792255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).