5-bromo-4-methyl-1,2-dihydropyridine

C6H8BrN — CID 46856287

IUPAC5-bromo-4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC=C1Br
InChIInChI=1S/C6H8BrN/c1-5-2-3-8-4-6(5)7/h2,4,8H,3H2,1H3
InChIKeyJFLLDVWSZDBAEQ-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.77
Rot. Bonds

About 5-bromo-4-methyl-1,2-dihydropyridine

5-bromo-4-methyl-1,2-dihydropyridine (PubChem CID 46856287) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-1,2-dihydropyridine
PubChem CID46856287
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name5-bromo-4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC=C1Br
InChIInChI=1S/C6H8BrN/c1-5-2-3-8-4-6(5)7/h2,4,8H,3H2,1H3
InChIKeyJFLLDVWSZDBAEQ-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1,2-dihydropyridine?
The IUPAC name of 5-bromo-4-methyl-1,2-dihydropyridine (CID 46856287) is 5-bromo-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 5-bromo-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 5-bromo-4-methyl-1,2-dihydropyridine is CC1=CCNC=C1Br.
What is the InChIKey of 5-bromo-4-methyl-1,2-dihydropyridine?
The InChIKey is JFLLDVWSZDBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5-2-3-8-4-6(5)7/h2,4,8H,3H2,1H3.
What are the key properties of 5-bromo-4-methyl-1,2-dihydropyridine?
5-bromo-4-methyl-1,2-dihydropyridine has a molecular weight of 174.04 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 46856287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).