1-(2-methyl-4-pyridin-3-ylphenyl)ethanone

C14H13NO — CID 20716212

IUPAC1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2cccnc2)cc1C
InChIInChI=1S/C14H13NO/c1-10-8-12(5-6-14(10)11(2)16)13-4-3-7-15-9-13/h3-9H,1-2H3
InChIKeyZDEMAKPPUTZCPK-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone

1-(2-methyl-4-pyridin-3-ylphenyl)ethanone (PubChem CID 20716212) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
PubChem CID20716212
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2cccnc2)cc1C
InChIInChI=1S/C14H13NO/c1-10-8-12(5-6-14(10)11(2)16)13-4-3-7-15-9-13/h3-9H,1-2H3
InChIKeyZDEMAKPPUTZCPK-UHFFFAOYSA-N
XLogP3.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone (CID 20716212) is 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone is CC(=O)c1ccc(-c2cccnc2)cc1C.
What is the InChIKey of 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone?
The InChIKey is ZDEMAKPPUTZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-8-12(5-6-14(10)11(2)16)13-4-3-7-15-9-13/h3-9H,1-2H3.
What are the key properties of 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone?
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone has a molecular weight of 211.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 20716212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).