1-(4-methyl-2-pyridinyl)ethanone

C8H9NO — CID 564760

IUPAC1-(4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)ccn1
InChIInChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
InChIKeyHRVQMQWVGKYDCF-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.59
Rot. Bonds1

About 1-(4-methyl-2-pyridinyl)ethanone

1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 564760) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)ethanone
PubChem CID564760
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1-(4-methyl-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)ccn1
InChIInChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3
InChIKeyHRVQMQWVGKYDCF-UHFFFAOYSA-N
XLogP1.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-methyl-2-pyridinyl)ethanone (CID 564760) is 1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)ethanone is CC(=O)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is HRVQMQWVGKYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)ethanone?
1-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 135.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 564760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).