1-pyridin-2-ylpyridin-2-one

C10H8N2O — CID 598976

IUPAC1-pyridin-2-ylpyridin-2-one
SMILESO=c1ccccn1-c1ccccn1
InChIInChI=1S/C10H8N2O/c13-10-6-2-4-8-12(10)9-5-1-3-7-11-9/h1-8H
InChIKeyTTYWSMWHPYKDEW-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.23
Rot. Bonds1

About 1-pyridin-2-ylpyridin-2-one

1-pyridin-2-ylpyridin-2-one (PubChem CID 598976) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-pyridin-2-ylpyridin-2-one
PubChem CID598976
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1-pyridin-2-ylpyridin-2-one
SMILESO=c1ccccn1-c1ccccn1
InChIInChI=1S/C10H8N2O/c13-10-6-2-4-8-12(10)9-5-1-3-7-11-9/h1-8H
InChIKeyTTYWSMWHPYKDEW-UHFFFAOYSA-N
XLogP1.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 1-pyridin-2-ylpyridin-2-one (CID 598976) is 1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 1-pyridin-2-ylpyridin-2-one is O=c1ccccn1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-ylpyridin-2-one?
The InChIKey is TTYWSMWHPYKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-6-2-4-8-12(10)9-5-1-3-7-11-9/h1-8H.
What are the key properties of 1-pyridin-2-ylpyridin-2-one?
1-pyridin-2-ylpyridin-2-one has a molecular weight of 172.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 598976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).