2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile

C10H7BrN2S — CID 130805458

IUPAC2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile
SMILESN#CCc1cc(Br)c2scc(N)c2c1
InChIInChI=1S/C10H7BrN2S/c11-8-4-6(1-2-12)3-7-9(13)5-14-10(7)8/h3-5H,1,13H2
InChIKeyWPEAFAXCSHSGBO-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.31
Rot. Bonds1

About 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile

2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile (PubChem CID 130805458) has the molecular formula C10H7BrN2S and a molecular weight of 267.15 g/mol. Its IUPAC name is 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile
PubChem CID130805458
Molecular FormulaC10H7BrN2S
Molecular Weight267.15 g/mol
Exact Mass265.95
IUPAC Name2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile
SMILESN#CCc1cc(Br)c2scc(N)c2c1
InChIInChI=1S/C10H7BrN2S/c11-8-4-6(1-2-12)3-7-9(13)5-14-10(7)8/h3-5H,1,13H2
InChIKeyWPEAFAXCSHSGBO-UHFFFAOYSA-N
XLogP3.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile 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

3-amino-5-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 131033904
2-(4-amino-3-bromo-5-chlorophenyl)acetonitrile
CID 131367574
2-(3-chloro-7-sulfanyl-1-benzothiophen-5-yl)acetonitrile
CID 130870573
5-amino-7-bromo-1-benzothiophene-3-carbonitrile
CID 131030863
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265
2-(3-bromo-5-fluoro-1-benzothiophen-7-yl)acetonitrile
CID 130803640
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282
2-[3,5-dibromo-4-(difluoromethoxy)phenyl]acetonitrile
CID 121227967
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 84803876
2,3-dibromo-5-(cyanomethyl)benzonitrile
CID 171007952
2-(3-amino-5-bromo-1-benzothiophen-4-yl)acetonitrile
CID 130884967
2-(7-amino-6-bromo-1-benzothiophen-4-yl)acetonitrile
CID 130941807

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile?
The IUPAC name of 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile (CID 130805458) is 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile?
The canonical SMILES for 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile is N#CCc1cc(Br)c2scc(N)c2c1.
What is the InChIKey of 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile?
The InChIKey is WPEAFAXCSHSGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2S/c11-8-4-6(1-2-12)3-7-9(13)5-14-10(7)8/h3-5H,1,13H2.
What are the key properties of 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile?
2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile has a molecular weight of 267.15 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-7-bromo-1-benzothiophen-5-yl)acetonitrile is sourced from PubChem (CID 130805458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).