3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine

C10H12BrN — CID 167169502

IUPAC3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine
SMILESC=C1C(Br)=CC=CN1C=C(C)C
InChIInChI=1S/C10H12BrN/c1-8(2)7-12-6-4-5-10(11)9(12)3/h4-7H,3H2,1-2H3
InChIKeyHIKIZWVBDMWGDT-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.53
Rot. Bonds1

About 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine

3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine (PubChem CID 167169502) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine
PubChem CID167169502
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine
SMILESC=C1C(Br)=CC=CN1C=C(C)C
InChIInChI=1S/C10H12BrN/c1-8(2)7-12-6-4-5-10(11)9(12)3/h4-7H,3H2,1-2H3
InChIKeyHIKIZWVBDMWGDT-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine 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-2-methylidene-1-(2-methylprop-1-enyl)pyridine?
The IUPAC name of 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine (CID 167169502) is 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine.
What is the SMILES notation for 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine?
The canonical SMILES for 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine is C=C1C(Br)=CC=CN1C=C(C)C.
What is the InChIKey of 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine?
The InChIKey is HIKIZWVBDMWGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-8(2)7-12-6-4-5-10(11)9(12)3/h4-7H,3H2,1-2H3.
What are the key properties of 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine?
3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine has a molecular weight of 226.12 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylidene-1-(2-methylprop-1-enyl)pyridine is sourced from PubChem (CID 167169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).