3-bromo-6-ethylpyridine-2-carbonitrile

C8H7BrN2 — CID 151363520

IUPAC3-bromo-6-ethylpyridine-2-carbonitrile
SMILESCCc1ccc(Br)c(C#N)n1
InChIInChI=1S/C8H7BrN2/c1-2-6-3-4-7(9)8(5-10)11-6/h3-4H,2H2,1H3
InChIKeyOOYJNYHJLAQHTJ-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-6-ethylpyridine-2-carbonitrile

3-bromo-6-ethylpyridine-2-carbonitrile (PubChem CID 151363520) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-6-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-ethylpyridine-2-carbonitrile
PubChem CID151363520
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name3-bromo-6-ethylpyridine-2-carbonitrile
SMILESCCc1ccc(Br)c(C#N)n1
InChIInChI=1S/C8H7BrN2/c1-2-6-3-4-7(9)8(5-10)11-6/h3-4H,2H2,1H3
InChIKeyOOYJNYHJLAQHTJ-UHFFFAOYSA-N
XLogP2.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-6-ethylpyridine-2-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 3-bromo-6-ethylpyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-ethylpyridine-2-carbonitrile (CID 151363520) is 3-bromo-6-ethylpyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-ethylpyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-ethylpyridine-2-carbonitrile is CCc1ccc(Br)c(C#N)n1.
What is the InChIKey of 3-bromo-6-ethylpyridine-2-carbonitrile?
The InChIKey is OOYJNYHJLAQHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-2-6-3-4-7(9)8(5-10)11-6/h3-4H,2H2,1H3.
What are the key properties of 3-bromo-6-ethylpyridine-2-carbonitrile?
3-bromo-6-ethylpyridine-2-carbonitrile has a molecular weight of 211.06 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 151363520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).