2-bromo-6-methylpyridine-3-carbonitrile

C7H5BrN2 — CID 4738310

IUPAC2-bromo-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Br)n1
InChIInChI=1S/C7H5BrN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKeyXPTNCEKLFCYPKH-UHFFFAOYSA-N
MW197.03 g/mol
LogP2.02
Rot. Bonds

About 2-bromo-6-methylpyridine-3-carbonitrile

2-bromo-6-methylpyridine-3-carbonitrile (PubChem CID 4738310) has the molecular formula C7H5BrN2 and a molecular weight of 197.03 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-methylpyridine-3-carbonitrile
PubChem CID4738310
Molecular FormulaC7H5BrN2
Molecular Weight197.03 g/mol
Exact Mass195.96
IUPAC Name2-bromo-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Br)n1
InChIInChI=1S/C7H5BrN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKeyXPTNCEKLFCYPKH-UHFFFAOYSA-N
XLogP2.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.03
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylpyridine-3-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 2-bromo-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-bromo-6-methylpyridine-3-carbonitrile (CID 4738310) is 2-bromo-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Br)n1.
What is the InChIKey of 2-bromo-6-methylpyridine-3-carbonitrile?
The InChIKey is XPTNCEKLFCYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3.
What are the key properties of 2-bromo-6-methylpyridine-3-carbonitrile?
2-bromo-6-methylpyridine-3-carbonitrile has a molecular weight of 197.03 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 4738310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).