1-(pyridin-4-ylmethyl)pyridin-2-one

C11H10N2O — CID 112684898

IUPAC1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1ccncc1
InChIInChI=1S/C11H10N2O/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10/h1-8H,9H2
InChIKeyVDLAIBPCRNDQLC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.29
Rot. Bonds2

About 1-(pyridin-4-ylmethyl)pyridin-2-one

1-(pyridin-4-ylmethyl)pyridin-2-one (PubChem CID 112684898) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)pyridin-2-one
PubChem CID112684898
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(pyridin-4-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1ccncc1
InChIInChI=1S/C11H10N2O/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10/h1-8H,9H2
InChIKeyVDLAIBPCRNDQLC-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(pyridin-4-ylmethyl)pyridin-2-one (CID 112684898) is 1-(pyridin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(pyridin-4-ylmethyl)pyridin-2-one is O=c1ccccn1Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)pyridin-2-one?
The InChIKey is VDLAIBPCRNDQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10/h1-8H,9H2.
What are the key properties of 1-(pyridin-4-ylmethyl)pyridin-2-one?
1-(pyridin-4-ylmethyl)pyridin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 112684898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).