2-(3-bromophenyl)cyclopropane-1-carbonitrile

C10H8BrN — CID 82080179

IUPAC2-(3-bromophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1cccc(Br)c1
InChIInChI=1S/C10H8BrN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5H2
InChIKeyYGSVYIHMKNVVDA-UHFFFAOYSA-N
MW222.08 g/mol
LogP3.08
Rot. Bonds1

About 2-(3-bromophenyl)cyclopropane-1-carbonitrile

2-(3-bromophenyl)cyclopropane-1-carbonitrile (PubChem CID 82080179) has the molecular formula C10H8BrN and a molecular weight of 222.08 g/mol. Its IUPAC name is 2-(3-bromophenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-bromophenyl)cyclopropane-1-carbonitrile
PubChem CID82080179
Molecular FormulaC10H8BrN
Molecular Weight222.08 g/mol
Exact Mass220.98
IUPAC Name2-(3-bromophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1cccc(Br)c1
InChIInChI=1S/C10H8BrN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5H2
InChIKeyYGSVYIHMKNVVDA-UHFFFAOYSA-N
XLogP3.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(3-bromophenyl)cyclopropane-1-carbonitrile (CID 82080179) is 2-(3-bromophenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3-bromophenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3-bromophenyl)cyclopropane-1-carbonitrile is N#CC1CC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)cyclopropane-1-carbonitrile?
The InChIKey is YGSVYIHMKNVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN/c11-9-3-1-2-7(4-9)10-5-8(10)6-12/h1-4,8,10H,5H2.
What are the key properties of 2-(3-bromophenyl)cyclopropane-1-carbonitrile?
2-(3-bromophenyl)cyclopropane-1-carbonitrile has a molecular weight of 222.08 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 82080179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).