3-bromo-4-ethylpyridine

C7H8BrN — CID 13160533

IUPAC3-bromo-4-ethylpyridine
SMILESCCc1ccncc1Br
InChIInChI=1S/C7H8BrN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
InChIKeyBJZMHNBXROHGCM-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.41
Rot. Bonds1

About 3-bromo-4-ethylpyridine

3-bromo-4-ethylpyridine (PubChem CID 13160533) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is 3-bromo-4-ethylpyridine.

Molecular Properties

Compound Name3-bromo-4-ethylpyridine
PubChem CID13160533
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC Name3-bromo-4-ethylpyridine
SMILESCCc1ccncc1Br
InChIInChI=1S/C7H8BrN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3
InChIKeyBJZMHNBXROHGCM-UHFFFAOYSA-N
XLogP2.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-ethylpyridine 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-4-ethylpyridine?
The IUPAC name of 3-bromo-4-ethylpyridine (CID 13160533) is 3-bromo-4-ethylpyridine.
What is the SMILES notation for 3-bromo-4-ethylpyridine?
The canonical SMILES for 3-bromo-4-ethylpyridine is CCc1ccncc1Br.
What is the InChIKey of 3-bromo-4-ethylpyridine?
The InChIKey is BJZMHNBXROHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c1-2-6-3-4-9-5-7(6)8/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-4-ethylpyridine?
3-bromo-4-ethylpyridine has a molecular weight of 186.05 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethylpyridine is sourced from PubChem (CID 13160533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).