5-bromo-2-(2-chloropropyl)-3-methylpyridine

C9H11BrClN — CID 79717537

IUPAC5-bromo-2-(2-chloropropyl)-3-methylpyridine
SMILESCc1cc(Br)cnc1CC(C)Cl
InChIInChI=1S/C9H11BrClN/c1-6-3-8(10)5-12-9(6)4-7(2)11/h3,5,7H,4H2,1-2H3
InChIKeyIDOAILSXTFBTGK-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.32
Rot. Bonds2

About 5-bromo-2-(2-chloropropyl)-3-methylpyridine

5-bromo-2-(2-chloropropyl)-3-methylpyridine (PubChem CID 79717537) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 5-bromo-2-(2-chloropropyl)-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(2-chloropropyl)-3-methylpyridine
PubChem CID79717537
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name5-bromo-2-(2-chloropropyl)-3-methylpyridine
SMILESCc1cc(Br)cnc1CC(C)Cl
InChIInChI=1S/C9H11BrClN/c1-6-3-8(10)5-12-9(6)4-7(2)11/h3,5,7H,4H2,1-2H3
InChIKeyIDOAILSXTFBTGK-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.32
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

5-bromo-2-(2-bromo-3-methylbutyl)-3-methylpyridine
CID 79718246
5-bromo-3-(1-chloroethyl)-2-(chloromethyl)pyridine
CID 146273653
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
5-bromo-4-(2-chloropropyl)pyrimidine
CID 66320721
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
5-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754022
2-[(5-bromo-3-methyl-2-pyridinyl)methyl]isoindole-1,3-dione
CID 134217108
5-bromo-2-(3-chloropropylsulfonyl)-3-methylpyridine
CID 79718523
(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
CID 130840689
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
CID 79718663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloropropyl)-3-methylpyridine?
The IUPAC name of 5-bromo-2-(2-chloropropyl)-3-methylpyridine (CID 79717537) is 5-bromo-2-(2-chloropropyl)-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-(2-chloropropyl)-3-methylpyridine?
The canonical SMILES for 5-bromo-2-(2-chloropropyl)-3-methylpyridine is Cc1cc(Br)cnc1CC(C)Cl.
What is the InChIKey of 5-bromo-2-(2-chloropropyl)-3-methylpyridine?
The InChIKey is IDOAILSXTFBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6-3-8(10)5-12-9(6)4-7(2)11/h3,5,7H,4H2,1-2H3.
What are the key properties of 5-bromo-2-(2-chloropropyl)-3-methylpyridine?
5-bromo-2-(2-chloropropyl)-3-methylpyridine has a molecular weight of 248.55 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloropropyl)-3-methylpyridine is sourced from PubChem (CID 79717537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).