5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile

C10H6FNOS — CID 130803928

IUPAC5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1cc2scc(C#N)c2cc1F
InChIInChI=1S/C10H6FNOS/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-3,5H,1H3
InChIKeyKIAVITCXPCNZCV-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds1

About 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile

5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile (PubChem CID 130803928) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
PubChem CID130803928
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1cc2scc(C#N)c2cc1F
InChIInChI=1S/C10H6FNOS/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-3,5H,1H3
InChIKeyKIAVITCXPCNZCV-UHFFFAOYSA-N
XLogP2.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-6-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130805656
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130839755
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
5-bromo-1-benzothiophene-3,6-dicarbonitrile
CID 131123178
5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
CID 117284977
7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
CID 59849538
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
6-methoxy-4-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130805655

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The IUPAC name of 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile (CID 130803928) is 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile is COc1cc2scc(C#N)c2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The InChIKey is KIAVITCXPCNZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c1-13-9-3-10-7(2-8(9)11)6(4-12)5-14-10/h2-3,5H,1H3.
What are the key properties of 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 130803928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).