1-(6-Methylpyridin-3-yl)butane-1,3-dione

HCID 20212814

Completing data — usually done within a minute

Basic information

CAS
56703-83-4
Standard SMILES
CC(=O)CC(=O)c1ccc(C)nc1
InChIKey
LRRPGSMZYAPOCP-UHFFFAOYSA-N
Molecular formula
C10H11NO2
Average molar mass
177.2 g/mol
Monoisotopic mass
177.07897859

Names & identifiers

Preferred name
1-(6-Methylpyridin-3-yl)butane-1,3-dione
IUPAC
1-(6-methyl-3-pyridinyl)butane-1,3-dione

Names & synonyms

1-(6-Methylpyridin-3-yl)butane-1,3-dione56703-83-46-methylnicotinoyl-acetone6-methyl-nicotinoyl-acetone(6-methyl-nicotinoyl)-acetoneSCHEMBL10812902DTXSID60603652LRRPGSMZYAPOCP-UHFFFAOYSA-NMFCD09996564AKOS0063030601-(6-methyl-3-pyridyl)butane-1,3-dione1-(6-Methylpyridin-3-yl)-butane-1,3-dione
Show more names
1-(6-Methyl-pyridin-3-yl)-butane-1,3-dioneA1-10220

Database identifiers

CAS
56703-83-4
PubChem CID
20212814
DTXSID
DTXSID60603652

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
47 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Related reactions

6 records

Compound notes

Loading…