2-(3-bromoprop-1-enyl)-6-methylpyridine

C9H10BrN — CID 169475003

IUPAC2-(3-bromoprop-1-enyl)-6-methylpyridine
SMILESCc1cccc(C=CCBr)n1
InChIInChI=1S/C9H10BrN/c1-8-4-2-5-9(11-8)6-3-7-10/h2-6H,7H2,1H3
InChIKeyQRDDLVQVGLQGBG-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-6-methylpyridine

2-(3-bromoprop-1-enyl)-6-methylpyridine (PubChem CID 169475003) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-6-methylpyridine
PubChem CID169475003
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name2-(3-bromoprop-1-enyl)-6-methylpyridine
SMILESCc1cccc(C=CCBr)n1
InChIInChI=1S/C9H10BrN/c1-8-4-2-5-9(11-8)6-3-7-10/h2-6H,7H2,1H3
InChIKeyQRDDLVQVGLQGBG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-chloroprop-1-enyl]-6-methylpyridine;hydrochloride
CID 19985812
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
2-(3-bromoprop-1-enyl)-6-methylpyridin-3-amine
CID 169475153
2-methyl-6-[(Z)-2-pyridin-2-ylethenyl]pyridine
CID 141005556
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193
2,6-dimethylpyridine;ethane
CID 54453947
2-methyl-6-[(E)-2-methylbut-1-enyl]pyridine
CID 130317749
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
CID 18763165
ethane;(6-methyl-2-pyridinyl)methanimine
CID 91555780
4-(3-bromoprop-1-enyl)-2-methyl-1,3-thiazole
CID 79322364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-6-methylpyridine?
The IUPAC name of 2-(3-bromoprop-1-enyl)-6-methylpyridine (CID 169475003) is 2-(3-bromoprop-1-enyl)-6-methylpyridine.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-6-methylpyridine?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-6-methylpyridine is Cc1cccc(C=CCBr)n1.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-6-methylpyridine?
The InChIKey is QRDDLVQVGLQGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-8-4-2-5-9(11-8)6-3-7-10/h2-6H,7H2,1H3.
What are the key properties of 2-(3-bromoprop-1-enyl)-6-methylpyridine?
2-(3-bromoprop-1-enyl)-6-methylpyridine has a molecular weight of 212.09 g/mol, XLogP of 2.80, 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)-6-methylpyridine is sourced from PubChem (CID 169475003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).