5-bromo-2-(3-chloro-2-methylpropyl)pyridine

C9H11BrClN — CID 104813254

IUPAC5-bromo-2-(3-chloro-2-methylpropyl)pyridine
SMILESCC(CCl)Cc1ccc(Br)cn1
InChIInChI=1S/C9H11BrClN/c1-7(5-11)4-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5H2,1H3
InChIKeyQRTDTXVHKKVPKF-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-2-(3-chloro-2-methylpropyl)pyridine

5-bromo-2-(3-chloro-2-methylpropyl)pyridine (PubChem CID 104813254) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-2-methylpropyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-2-methylpropyl)pyridine
PubChem CID104813254
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name5-bromo-2-(3-chloro-2-methylpropyl)pyridine
SMILESCC(CCl)Cc1ccc(Br)cn1
InChIInChI=1S/C9H11BrClN/c1-7(5-11)4-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5H2,1H3
InChIKeyQRTDTXVHKKVPKF-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.26
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

4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-2-methylpropyl)pyridine?
The IUPAC name of 5-bromo-2-(3-chloro-2-methylpropyl)pyridine (CID 104813254) is 5-bromo-2-(3-chloro-2-methylpropyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-chloro-2-methylpropyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-chloro-2-methylpropyl)pyridine is CC(CCl)Cc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(3-chloro-2-methylpropyl)pyridine?
The InChIKey is QRTDTXVHKKVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-7(5-11)4-9-3-2-8(10)6-12-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-bromo-2-(3-chloro-2-methylpropyl)pyridine?
5-bromo-2-(3-chloro-2-methylpropyl)pyridine has a molecular weight of 248.55 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-2-methylpropyl)pyridine is sourced from PubChem (CID 104813254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).