5-(4-bromobut-1-enyl)-2-methylpyridine

C10H12BrN — CID 79603355

IUPAC5-(4-bromobut-1-enyl)-2-methylpyridine
SMILESCc1ccc(C=CCCBr)cn1
InChIInChI=1S/C10H12BrN/c1-9-5-6-10(8-12-9)4-2-3-7-11/h2,4-6,8H,3,7H2,1H3
InChIKeyMISKDYAKOOYLPV-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.19
Rot. Bonds3

About 5-(4-bromobut-1-enyl)-2-methylpyridine

5-(4-bromobut-1-enyl)-2-methylpyridine (PubChem CID 79603355) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-(4-bromobut-1-enyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(4-bromobut-1-enyl)-2-methylpyridine
PubChem CID79603355
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name5-(4-bromobut-1-enyl)-2-methylpyridine
SMILESCc1ccc(C=CCCBr)cn1
InChIInChI=1S/C10H12BrN/c1-9-5-6-10(8-12-9)4-2-3-7-11/h2,4-6,8H,3,7H2,1H3
InChIKeyMISKDYAKOOYLPV-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(4-bromobut-1-enyl)-2-methylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
5-[(E)-2-iodoethenyl]-2-methylpyridine
CID 88570744
2-methyl-5-[(E)-2-phenylethenyl]pyridine
CID 11095539
5-(4-bromobut-1-enyl)-2-methylaniline
CID 170497179
1-(4-bromobut-1-enyl)-4-(bromomethyl)benzene
CID 170498464
(E)-3-(6-methyl-3-pyridinyl)prop-2-enenitrile
CID 104823202
5-ethenyl-2-methylpyridine
CID 8817
(Z)-N-ethyl-2-(6-methyl-3-pyridinyl)ethenamine
CID 20836216
3-acetyloxypropyl (E)-5-(6-methyl-3-pyridinyl)pent-4-enoate
CID 142208801
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
1-[4-(4-bromobut-1-enyl)-2-methylphenyl]ethanone
CID 170497744

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobut-1-enyl)-2-methylpyridine?
The IUPAC name of 5-(4-bromobut-1-enyl)-2-methylpyridine (CID 79603355) is 5-(4-bromobut-1-enyl)-2-methylpyridine.
What is the SMILES notation for 5-(4-bromobut-1-enyl)-2-methylpyridine?
The canonical SMILES for 5-(4-bromobut-1-enyl)-2-methylpyridine is Cc1ccc(C=CCCBr)cn1.
What is the InChIKey of 5-(4-bromobut-1-enyl)-2-methylpyridine?
The InChIKey is MISKDYAKOOYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-9-5-6-10(8-12-9)4-2-3-7-11/h2,4-6,8H,3,7H2,1H3.
What are the key properties of 5-(4-bromobut-1-enyl)-2-methylpyridine?
5-(4-bromobut-1-enyl)-2-methylpyridine has a molecular weight of 226.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobut-1-enyl)-2-methylpyridine is sourced from PubChem (CID 79603355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).