2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine

C7H12BrN — CID 166762681

IUPAC2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(C)C(Br)C1
InChIInChI=1S/C7H12BrN/c1-6-3-4-9(2)7(8)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyIURQXUYXAHSBLF-UHFFFAOYSA-N
MW190.08 g/mol
LogP2.19
Rot. Bonds

About 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine

2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 166762681) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID166762681
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(C)C(Br)C1
InChIInChI=1S/C7H12BrN/c1-6-3-4-9(2)7(8)5-6/h3-4,6-7H,5H2,1-2H3
InChIKeyIURQXUYXAHSBLF-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 52.19
H-Bond Donors ≤ 50
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-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine (CID 166762681) is 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine is CC1C=CN(C)C(Br)C1.
What is the InChIKey of 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is IURQXUYXAHSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN/c1-6-3-4-9(2)7(8)5-6/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine?
2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 190.08 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 166762681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).