1-(2-ethyl-5-methyl-3-pyridinyl)ethanone

C10H13NO — CID 119089666

IUPAC1-(2-ethyl-5-methyl-3-pyridinyl)ethanone
SMILESCCc1ncc(C)cc1C(C)=O
InChIInChI=1S/C10H13NO/c1-4-10-9(8(3)12)5-7(2)6-11-10/h5-6H,4H2,1-3H3
InChIKeyKKRXDACWSFGHEU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.16
Rot. Bonds2

About 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone

1-(2-ethyl-5-methyl-3-pyridinyl)ethanone (PubChem CID 119089666) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-3-pyridinyl)ethanone
PubChem CID119089666
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(2-ethyl-5-methyl-3-pyridinyl)ethanone
SMILESCCc1ncc(C)cc1C(C)=O
InChIInChI=1S/C10H13NO/c1-4-10-9(8(3)12)5-7(2)6-11-10/h5-6H,4H2,1-3H3
InChIKeyKKRXDACWSFGHEU-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone (CID 119089666) is 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone is CCc1ncc(C)cc1C(C)=O.
What is the InChIKey of 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone?
The InChIKey is KKRXDACWSFGHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-10-9(8(3)12)5-7(2)6-11-10/h5-6H,4H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone?
1-(2-ethyl-5-methyl-3-pyridinyl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 119089666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).