6-bromo-2-methyl-2,3-dihydropyridine

C6H8BrN — CID 89126576

IUPAC6-bromo-2-methyl-2,3-dihydropyridine
SMILESCC1CC=CC(Br)=N1
InChIInChI=1S/C6H8BrN/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3
InChIKeyNKZYJYOLTSXOJM-UHFFFAOYSA-N
MW174.04 g/mol
LogP2.13
Rot. Bonds

About 6-bromo-2-methyl-2,3-dihydropyridine

6-bromo-2-methyl-2,3-dihydropyridine (PubChem CID 89126576) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 6-bromo-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-2,3-dihydropyridine
PubChem CID89126576
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name6-bromo-2-methyl-2,3-dihydropyridine
SMILESCC1CC=CC(Br)=N1
InChIInChI=1S/C6H8BrN/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3
InChIKeyNKZYJYOLTSXOJM-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-2,3-dihydropyridine?
The IUPAC name of 6-bromo-2-methyl-2,3-dihydropyridine (CID 89126576) is 6-bromo-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-bromo-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-bromo-2-methyl-2,3-dihydropyridine is CC1CC=CC(Br)=N1.
What is the InChIKey of 6-bromo-2-methyl-2,3-dihydropyridine?
The InChIKey is NKZYJYOLTSXOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3.
What are the key properties of 6-bromo-2-methyl-2,3-dihydropyridine?
6-bromo-2-methyl-2,3-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 6-bromo-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 89126576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).