7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile

C10H4FNOS — CID 130926562

IUPAC7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(C=O)sc2c1F
InChIInChI=1S/C10H4FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,5H
InChIKeyNNYLOFVUPGWZNS-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.72
Rot. Bonds1

About 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile

7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile (PubChem CID 130926562) has the molecular formula C10H4FNOS and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
PubChem CID130926562
Molecular FormulaC10H4FNOS
Molecular Weight205.21 g/mol
Exact Mass205.00
IUPAC Name7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(C=O)sc2c1F
InChIInChI=1S/C10H4FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,5H
InChIKeyNNYLOFVUPGWZNS-UHFFFAOYSA-N
XLogP2.72
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile?
The IUPAC name of 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile (CID 130926562) is 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile is N#Cc1ccc2cc(C=O)sc2c1F.
What is the InChIKey of 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile?
The InChIKey is NNYLOFVUPGWZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,5H.
What are the key properties of 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile?
7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile has a molecular weight of 205.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 130926562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).