6-bromo-2-methyl-3-propan-2-ylpyridine

C9H12BrN — CID 143746105

IUPAC6-bromo-2-methyl-3-propan-2-ylpyridine
SMILESCc1nc(Br)ccc1C(C)C
InChIInChI=1S/C9H12BrN/c1-6(2)8-4-5-9(10)11-7(8)3/h4-6H,1-3H3
InChIKeyOZCZVNOQIWUNCI-UHFFFAOYSA-N
MW214.11 g/mol
LogP3.28
Rot. Bonds1

About 6-bromo-2-methyl-3-propan-2-ylpyridine

6-bromo-2-methyl-3-propan-2-ylpyridine (PubChem CID 143746105) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 6-bromo-2-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-3-propan-2-ylpyridine
PubChem CID143746105
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name6-bromo-2-methyl-3-propan-2-ylpyridine
SMILESCc1nc(Br)ccc1C(C)C
InChIInChI=1S/C9H12BrN/c1-6(2)8-4-5-9(10)11-7(8)3/h4-6H,1-3H3
InChIKeyOZCZVNOQIWUNCI-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3-propan-2-ylpyridine?
The IUPAC name of 6-bromo-2-methyl-3-propan-2-ylpyridine (CID 143746105) is 6-bromo-2-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 6-bromo-2-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 6-bromo-2-methyl-3-propan-2-ylpyridine is Cc1nc(Br)ccc1C(C)C.
What is the InChIKey of 6-bromo-2-methyl-3-propan-2-ylpyridine?
The InChIKey is OZCZVNOQIWUNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6(2)8-4-5-9(10)11-7(8)3/h4-6H,1-3H3.
What are the key properties of 6-bromo-2-methyl-3-propan-2-ylpyridine?
6-bromo-2-methyl-3-propan-2-ylpyridine has a molecular weight of 214.11 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 143746105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).