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

C9H3BrFNS — CID 130914349

IUPAC6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile
SMILESN#Cc1c(Br)ccc2cc(F)sc12
InChIInChI=1S/C9H3BrFNS/c10-7-2-1-5-3-8(11)13-9(5)6(7)4-12/h1-3H
InChIKeyRGTZMVHLLRXVOL-UHFFFAOYSA-N
MW256.10 g/mol
LogP3.67
Rot. Bonds

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

6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile (PubChem CID 130914349) has the molecular formula C9H3BrFNS and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile
PubChem CID130914349
Molecular FormulaC9H3BrFNS
Molecular Weight256.10 g/mol
Exact Mass254.92
IUPAC Name6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile
SMILESN#Cc1c(Br)ccc2cc(F)sc12
InChIInChI=1S/C9H3BrFNS/c10-7-2-1-5-3-8(11)13-9(5)6(7)4-12/h1-3H
InChIKeyRGTZMVHLLRXVOL-UHFFFAOYSA-N
XLogP3.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-2-bromo-1-benzothiophene-7-carbonitrile
CID 130961162
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
2-bromo-6-hydroxy-1-benzothiophene-7-carbonitrile
CID 131031393
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
6-amino-2-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130883281
6-bromo-3-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130855212
2,6-dibromobenzonitrile
CID 12683209
3,6-dibromo-2-chlorobenzonitrile
CID 169336599
3,6-dibromo-2-methylbenzonitrile
CID 171003305
7-amino-5-bromo-1-benzothiophene-6-carbonitrile
CID 131053444
5-chloro-6-fluoro-1-benzothiophene-7-carbonitrile
CID 130884091

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile?
The IUPAC name of 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile (CID 130914349) is 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile is N#Cc1c(Br)ccc2cc(F)sc12.
What is the InChIKey of 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile?
The InChIKey is RGTZMVHLLRXVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrFNS/c10-7-2-1-5-3-8(11)13-9(5)6(7)4-12/h1-3H.
What are the key properties of 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile?
6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile has a molecular weight of 256.10 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 130914349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).