2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine

C9H9BrClN — CID 169475189

IUPAC2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine
SMILESCc1cc(Cl)cnc1C=CCBr
InChIInChI=1S/C9H9BrClN/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4H2,1H3
InChIKeyXXXVFCVZLMVBLY-UHFFFAOYSA-N
MW246.53 g/mol
LogP3.45
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine

2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine (PubChem CID 169475189) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine
PubChem CID169475189
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine
SMILESCc1cc(Cl)cnc1C=CCBr
InChIInChI=1S/C9H9BrClN/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4H2,1H3
InChIKeyXXXVFCVZLMVBLY-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.45
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 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine?
The IUPAC name of 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine (CID 169475189) is 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine is Cc1cc(Cl)cnc1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine?
The InChIKey is XXXVFCVZLMVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN/c1-7-5-8(11)6-12-9(7)3-2-4-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine?
2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine has a molecular weight of 246.53 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine is sourced from PubChem (CID 169475189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).