4-bromo-6-methyl-3,4-dihydropyridine

C6H8BrN — CID 139365387

IUPAC4-bromo-6-methyl-3,4-dihydropyridine
SMILESCC1=CC(Br)CC=N1
InChIInChI=1S/C6H8BrN/c1-5-4-6(7)2-3-8-5/h3-4,6H,2H2,1H3
InChIKeySLJKMIWTHOGUQT-UHFFFAOYSA-N
MW174.04 g/mol
LogP2.13
Rot. Bonds

About 4-bromo-6-methyl-3,4-dihydropyridine

4-bromo-6-methyl-3,4-dihydropyridine (PubChem CID 139365387) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 4-bromo-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-bromo-6-methyl-3,4-dihydropyridine
PubChem CID139365387
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name4-bromo-6-methyl-3,4-dihydropyridine
SMILESCC1=CC(Br)CC=N1
InChIInChI=1S/C6H8BrN/c1-5-4-6(7)2-3-8-5/h3-4,6H,2H2,1H3
InChIKeySLJKMIWTHOGUQT-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-3,4-dihydropyridine?
The IUPAC name of 4-bromo-6-methyl-3,4-dihydropyridine (CID 139365387) is 4-bromo-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-bromo-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-bromo-6-methyl-3,4-dihydropyridine is CC1=CC(Br)CC=N1.
What is the InChIKey of 4-bromo-6-methyl-3,4-dihydropyridine?
The InChIKey is SLJKMIWTHOGUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5-4-6(7)2-3-8-5/h3-4,6H,2H2,1H3.
What are the key properties of 4-bromo-6-methyl-3,4-dihydropyridine?
4-bromo-6-methyl-3,4-dihydropyridine has a molecular weight of 174.04 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 139365387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).