2-amino-3-fluoro-1-benzothiophene-6-carbonitrile

C9H5FN2S — CID 130883104

IUPAC2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2c(F)c(N)sc2c1
InChIInChI=1S/C9H5FN2S/c10-8-6-2-1-5(4-11)3-7(6)13-9(8)12/h1-3H,12H2
InChIKeyKLOXXAYUEKCKCT-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.49
Rot. Bonds

About 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile

2-amino-3-fluoro-1-benzothiophene-6-carbonitrile (PubChem CID 130883104) has the molecular formula C9H5FN2S and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
PubChem CID130883104
Molecular FormulaC9H5FN2S
Molecular Weight192.22 g/mol
Exact Mass192.02
IUPAC Name2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2c(F)c(N)sc2c1
InChIInChI=1S/C9H5FN2S/c10-8-6-2-1-5(4-11)3-7(6)13-9(8)12/h1-3H,12H2
InChIKeyKLOXXAYUEKCKCT-UHFFFAOYSA-N
XLogP2.49
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluorodibenzothiophene-3-carbonitrile
CID 50993107
2-fluoro-3-formyl-1-benzothiophene-6-carbonitrile
CID 131219662
2,3-dichloro-1-benzothiophene-6-carbonitrile
CID 130839787
2-methyl-1-benzothiophene-3,6-dicarbonitrile
CID 130898981
2-amino-3-(bromomethyl)-1-benzothiophene-5-carbonitrile
CID 130792322
2-amino-1-benzothiophene-6-carbonitrile
CID 46908319
2-chloro-3-iodo-1-benzothiophene-6-carbonitrile
CID 130826404
2-ethyl-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 130792165
2-fluoro-3-methyl-1-benzothiophene-5-carbonitrile
CID 131169638
4-amino-3-fluorobenzonitrile;methane
CID 174516091
3-bromo-1-benzothiophene-6-carbonitrile
CID 66729043
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile?
The IUPAC name of 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile (CID 130883104) is 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile is N#Cc1ccc2c(F)c(N)sc2c1.
What is the InChIKey of 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile?
The InChIKey is KLOXXAYUEKCKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2S/c10-8-6-2-1-5(4-11)3-7(6)13-9(8)12/h1-3H,12H2.
What are the key properties of 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile?
2-amino-3-fluoro-1-benzothiophene-6-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 130883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).