1-(2-methyl-3-pyridinyl)propan-1-one

C9H11NO — CID 67478266

IUPAC1-(2-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cccnc1C
InChIInChI=1S/C9H11NO/c1-3-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChIKeyUCUPNCAJDJRDQZ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.98
Rot. Bonds2

About 1-(2-methyl-3-pyridinyl)propan-1-one

1-(2-methyl-3-pyridinyl)propan-1-one (PubChem CID 67478266) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)propan-1-one
PubChem CID67478266
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(2-methyl-3-pyridinyl)propan-1-one
SMILESCCC(=O)c1cccnc1C
InChIInChI=1S/C9H11NO/c1-3-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChIKeyUCUPNCAJDJRDQZ-UHFFFAOYSA-N
XLogP1.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-(2-methyl-3-pyridinyl)propan-1-one (CID 67478266) is 1-(2-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)propan-1-one is CCC(=O)c1cccnc1C.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)propan-1-one?
The InChIKey is UCUPNCAJDJRDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)propan-1-one?
1-(2-methyl-3-pyridinyl)propan-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 67478266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).