ethane;1-(2-methyl-3-pyridinyl)ethanone

C10H15NO — CID 143815583

IUPACethane;1-(2-methyl-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO.C2H6/c1-6-8(7(2)10)4-3-5-9-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyCNLBUZPHMIANPU-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.62
Rot. Bonds1

About ethane;1-(2-methyl-3-pyridinyl)ethanone

ethane;1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 143815583) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methyl-3-pyridinyl)ethanone
PubChem CID143815583
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;1-(2-methyl-3-pyridinyl)ethanone
SMILESCC.CC(=O)c1cccnc1C
InChIInChI=1S/C8H9NO.C2H6/c1-6-8(7(2)10)4-3-5-9-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyCNLBUZPHMIANPU-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
1-(2-methyl-3-pyridinyl)but-3-yn-1-one
CID 105076440

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of ethane;1-(2-methyl-3-pyridinyl)ethanone (CID 143815583) is ethane;1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for ethane;1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for ethane;1-(2-methyl-3-pyridinyl)ethanone is CC.CC(=O)c1cccnc1C.
What is the InChIKey of ethane;1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is CNLBUZPHMIANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-6-8(7(2)10)4-3-5-9-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methyl-3-pyridinyl)ethanone?
ethane;1-(2-methyl-3-pyridinyl)ethanone has a molecular weight of 165.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 143815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).