4-(3-bromo-2-methylprop-1-enyl)pyridine

C9H10BrN — CID 79322993

IUPAC4-(3-bromo-2-methylprop-1-enyl)pyridine
SMILESCC(=Cc1ccncc1)CBr
InChIInChI=1S/C9H10BrN/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H,7H2,1H3
InChIKeyDESIFQSPMCZJAT-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.88
Rot. Bonds2

About 4-(3-bromo-2-methylprop-1-enyl)pyridine

4-(3-bromo-2-methylprop-1-enyl)pyridine (PubChem CID 79322993) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 4-(3-bromo-2-methylprop-1-enyl)pyridine.

Molecular Properties

Compound Name4-(3-bromo-2-methylprop-1-enyl)pyridine
PubChem CID79322993
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name4-(3-bromo-2-methylprop-1-enyl)pyridine
SMILESCC(=Cc1ccncc1)CBr
InChIInChI=1S/C9H10BrN/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H,7H2,1H3
InChIKeyDESIFQSPMCZJAT-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylprop-1-enyl)pyridine?
The IUPAC name of 4-(3-bromo-2-methylprop-1-enyl)pyridine (CID 79322993) is 4-(3-bromo-2-methylprop-1-enyl)pyridine.
What is the SMILES notation for 4-(3-bromo-2-methylprop-1-enyl)pyridine?
The canonical SMILES for 4-(3-bromo-2-methylprop-1-enyl)pyridine is CC(=Cc1ccncc1)CBr.
What is the InChIKey of 4-(3-bromo-2-methylprop-1-enyl)pyridine?
The InChIKey is DESIFQSPMCZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-8(7-10)6-9-2-4-11-5-3-9/h2-6H,7H2,1H3.
What are the key properties of 4-(3-bromo-2-methylprop-1-enyl)pyridine?
4-(3-bromo-2-methylprop-1-enyl)pyridine has a molecular weight of 212.09 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylprop-1-enyl)pyridine is sourced from PubChem (CID 79322993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).