2-bromo-2,4-dimethyl-1H-pyridine

C7H10BrN — CID 86637772

IUPAC2-bromo-2,4-dimethyl-1H-pyridine
SMILESCC1=CC(C)(Br)NC=C1
InChIInChI=1S/C7H10BrN/c1-6-3-4-9-7(2,8)5-6/h3-5,9H,1-2H3
InChIKeyLBPFWDIULHHYNQ-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.16
Rot. Bonds

About 2-bromo-2,4-dimethyl-1H-pyridine

2-bromo-2,4-dimethyl-1H-pyridine (PubChem CID 86637772) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 2-bromo-2,4-dimethyl-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2,4-dimethyl-1H-pyridine
PubChem CID86637772
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name2-bromo-2,4-dimethyl-1H-pyridine
SMILESCC1=CC(C)(Br)NC=C1
InChIInChI=1S/C7H10BrN/c1-6-3-4-9-7(2,8)5-6/h3-5,9H,1-2H3
InChIKeyLBPFWDIULHHYNQ-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,4-dimethyl-1H-pyridine?
The IUPAC name of 2-bromo-2,4-dimethyl-1H-pyridine (CID 86637772) is 2-bromo-2,4-dimethyl-1H-pyridine.
What is the SMILES notation for 2-bromo-2,4-dimethyl-1H-pyridine?
The canonical SMILES for 2-bromo-2,4-dimethyl-1H-pyridine is CC1=CC(C)(Br)NC=C1.
What is the InChIKey of 2-bromo-2,4-dimethyl-1H-pyridine?
The InChIKey is LBPFWDIULHHYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-6-3-4-9-7(2,8)5-6/h3-5,9H,1-2H3.
What are the key properties of 2-bromo-2,4-dimethyl-1H-pyridine?
2-bromo-2,4-dimethyl-1H-pyridine has a molecular weight of 188.07 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,4-dimethyl-1H-pyridine is sourced from PubChem (CID 86637772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).