3-bromo-2-methyl-2,5-dihydropyridine

C6H8BrN — CID 56978885

IUPAC3-bromo-2-methyl-2,5-dihydropyridine
SMILESCC1N=CCC=C1Br
InChIInChI=1S/C6H8BrN/c1-5-6(7)3-2-4-8-5/h3-5H,2H2,1H3
InChIKeyXQKRVTNLSVOIDW-UHFFFAOYSA-N
MW174.04 g/mol
LogP2.13
Rot. Bonds

About 3-bromo-2-methyl-2,5-dihydropyridine

3-bromo-2-methyl-2,5-dihydropyridine (PubChem CID 56978885) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 3-bromo-2-methyl-2,5-dihydropyridine.

Molecular Properties

Compound Name3-bromo-2-methyl-2,5-dihydropyridine
PubChem CID56978885
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name3-bromo-2-methyl-2,5-dihydropyridine
SMILESCC1N=CCC=C1Br
InChIInChI=1S/C6H8BrN/c1-5-6(7)3-2-4-8-5/h3-5H,2H2,1H3
InChIKeyXQKRVTNLSVOIDW-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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Related Compounds

3-Bromo-2-methyl-2,3-dihydropyridine
CID 54205800
4-bromo-3H-pyridin-1-ium
CID 57188262
2-Methyl-2,5-dihydropyridine
CID 68099548
3-Bromo-2,5-dihydropyridine
CID 175819799

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-2,5-dihydropyridine?
The IUPAC name of 3-bromo-2-methyl-2,5-dihydropyridine (CID 56978885) is 3-bromo-2-methyl-2,5-dihydropyridine.
What is the SMILES notation for 3-bromo-2-methyl-2,5-dihydropyridine?
The canonical SMILES for 3-bromo-2-methyl-2,5-dihydropyridine is CC1N=CCC=C1Br.
What is the InChIKey of 3-bromo-2-methyl-2,5-dihydropyridine?
The InChIKey is XQKRVTNLSVOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5-6(7)3-2-4-8-5/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-2-methyl-2,5-dihydropyridine?
3-bromo-2-methyl-2,5-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 3-bromo-2-methyl-2,5-dihydropyridine is sourced from PubChem (CID 56978885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).