4-bromo-2,6-dimethyl-2,3-dihydropyridine

C7H10BrN — CID 123420206

IUPAC4-bromo-2,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NC(C)CC(Br)=C1
InChIInChI=1S/C7H10BrN/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3
InChIKeyQYVIFMKCXJFFFH-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.52
Rot. Bonds

About 4-bromo-2,6-dimethyl-2,3-dihydropyridine

4-bromo-2,6-dimethyl-2,3-dihydropyridine (PubChem CID 123420206) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-2,3-dihydropyridine
PubChem CID123420206
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name4-bromo-2,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NC(C)CC(Br)=C1
InChIInChI=1S/C7H10BrN/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3
InChIKeyQYVIFMKCXJFFFH-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of 4-bromo-2,6-dimethyl-2,3-dihydropyridine (CID 123420206) is 4-bromo-2,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 4-bromo-2,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 4-bromo-2,6-dimethyl-2,3-dihydropyridine is CC1=NC(C)CC(Br)=C1.
What is the InChIKey of 4-bromo-2,6-dimethyl-2,3-dihydropyridine?
The InChIKey is QYVIFMKCXJFFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethyl-2,3-dihydropyridine?
4-bromo-2,6-dimethyl-2,3-dihydropyridine has a molecular weight of 188.07 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 123420206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).