4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile

C10H6FNS — CID 131058049

IUPAC4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile
SMILESCc1csc2c(C#N)ccc(F)c12
InChIInChI=1S/C10H6FNS/c1-6-5-13-10-7(4-12)2-3-8(11)9(6)10/h2-3,5H,1H3
InChIKeyPEVBJZQDDBPTMA-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.22
Rot. Bonds

About 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile

4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile (PubChem CID 131058049) has the molecular formula C10H6FNS and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile
PubChem CID131058049
Molecular FormulaC10H6FNS
Molecular Weight191.23 g/mol
Exact Mass191.02
IUPAC Name4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile
SMILESCc1csc2c(C#N)ccc(F)c12
InChIInChI=1S/C10H6FNS/c1-6-5-13-10-7(4-12)2-3-8(11)9(6)10/h2-3,5H,1H3
InChIKeyPEVBJZQDDBPTMA-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methyl-1-benzothiophene-7-carbonitrile
CID 131119383
7-fluoro-4-propan-2-yl-1-benzothiophene-3-carbonitrile
CID 170767764
3-amino-1-benzothiophene-4,7-dicarbonitrile
CID 130817005
3-methylthieno[3,2-b]pyridine-7-carbonitrile
CID 135392199
7-amino-4-methyl-1-benzothiophene-3-carbonitrile
CID 130914465
7-methyl-4-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130805969
4-amino-3-hydroxy-1-benzothiophene-7-carbonitrile
CID 130884910
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
3-chloro-7-methylsulfanyl-1-benzothiophene-4-carbonitrile
CID 131190906
2-(3-fluoro-7-methyl-1-benzothiophen-4-yl)acetonitrile
CID 131053966
3-amino-4-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130839642
3-chloro-4-formyl-1-benzothiophene-7-carbonitrile
CID 131031217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile?
The IUPAC name of 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile (CID 131058049) is 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile is Cc1csc2c(C#N)ccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile?
The InChIKey is PEVBJZQDDBPTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS/c1-6-5-13-10-7(4-12)2-3-8(11)9(6)10/h2-3,5H,1H3.
What are the key properties of 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile?
4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 131058049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).