4-(bromomethyl)-6-methyl-3,4-dihydropyridine

C7H10BrN — CID 138546276

IUPAC4-(bromomethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CC(CBr)CC=N1
InChIInChI=1S/C7H10BrN/c1-6-4-7(5-8)2-3-9-6/h3-4,7H,2,5H2,1H3
InChIKeyQZCDHGDCSUQEPC-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.38
Rot. Bonds1

About 4-(bromomethyl)-6-methyl-3,4-dihydropyridine

4-(bromomethyl)-6-methyl-3,4-dihydropyridine (PubChem CID 138546276) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 4-(bromomethyl)-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(bromomethyl)-6-methyl-3,4-dihydropyridine
PubChem CID138546276
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name4-(bromomethyl)-6-methyl-3,4-dihydropyridine
SMILESCC1=CC(CBr)CC=N1
InChIInChI=1S/C7H10BrN/c1-6-4-7(5-8)2-3-9-6/h3-4,7H,2,5H2,1H3
InChIKeyQZCDHGDCSUQEPC-UHFFFAOYSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.38
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-(bromomethyl)-6-methyl-3,4-dihydropyridine?
The IUPAC name of 4-(bromomethyl)-6-methyl-3,4-dihydropyridine (CID 138546276) is 4-(bromomethyl)-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-(bromomethyl)-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-(bromomethyl)-6-methyl-3,4-dihydropyridine is CC1=CC(CBr)CC=N1.
What is the InChIKey of 4-(bromomethyl)-6-methyl-3,4-dihydropyridine?
The InChIKey is QZCDHGDCSUQEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-6-4-7(5-8)2-3-9-6/h3-4,7H,2,5H2,1H3.
What are the key properties of 4-(bromomethyl)-6-methyl-3,4-dihydropyridine?
4-(bromomethyl)-6-methyl-3,4-dihydropyridine has a molecular weight of 188.07 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 138546276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).