1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile

C9H7BrN2 — CID 118994090

IUPAC1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncccc2Br)CC1
InChIInChI=1S/C9H7BrN2/c10-7-2-1-5-12-8(7)9(6-11)3-4-9/h1-2,5H,3-4H2
InChIKeyQADYZSDMZMKJHT-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile

1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile (PubChem CID 118994090) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile
PubChem CID118994090
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ncccc2Br)CC1
InChIInChI=1S/C9H7BrN2/c10-7-2-1-5-12-8(7)9(6-11)3-4-9/h1-2,5H,3-4H2
InChIKeyQADYZSDMZMKJHT-UHFFFAOYSA-N
XLogP2.40
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile (CID 118994090) is 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile is N#CC1(c2ncccc2Br)CC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile?
The InChIKey is QADYZSDMZMKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-7-2-1-5-12-8(7)9(6-11)3-4-9/h1-2,5H,3-4H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile?
1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile has a molecular weight of 223.07 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 118994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).