2-bromo-2,4,6-trimethyl-1H-pyridine

C8H12BrN — CID 90353152

IUPAC2-bromo-2,4,6-trimethyl-1H-pyridine
SMILESCC1=CC(C)(Br)NC(C)=C1
InChIInChI=1S/C8H12BrN/c1-6-4-7(2)10-8(3,9)5-6/h4-5,10H,1-3H3
InChIKeyVUMHBNCHCRGCIL-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.55
Rot. Bonds

About 2-bromo-2,4,6-trimethyl-1H-pyridine

2-bromo-2,4,6-trimethyl-1H-pyridine (PubChem CID 90353152) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 2-bromo-2,4,6-trimethyl-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2,4,6-trimethyl-1H-pyridine
PubChem CID90353152
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name2-bromo-2,4,6-trimethyl-1H-pyridine
SMILESCC1=CC(C)(Br)NC(C)=C1
InChIInChI=1S/C8H12BrN/c1-6-4-7(2)10-8(3,9)5-6/h4-5,10H,1-3H3
InChIKeyVUMHBNCHCRGCIL-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.55
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-2,4,6-trimethyl-1H-pyridine?
The IUPAC name of 2-bromo-2,4,6-trimethyl-1H-pyridine (CID 90353152) is 2-bromo-2,4,6-trimethyl-1H-pyridine.
What is the SMILES notation for 2-bromo-2,4,6-trimethyl-1H-pyridine?
The canonical SMILES for 2-bromo-2,4,6-trimethyl-1H-pyridine is CC1=CC(C)(Br)NC(C)=C1.
What is the InChIKey of 2-bromo-2,4,6-trimethyl-1H-pyridine?
The InChIKey is VUMHBNCHCRGCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-6-4-7(2)10-8(3,9)5-6/h4-5,10H,1-3H3.
What are the key properties of 2-bromo-2,4,6-trimethyl-1H-pyridine?
2-bromo-2,4,6-trimethyl-1H-pyridine has a molecular weight of 202.09 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,4,6-trimethyl-1H-pyridine is sourced from PubChem (CID 90353152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).