3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one

C12H8N2O2 — CID 90772115

IUPAC3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C#Cc1ccc[nH]c1=O
InChIInChI=1S/C12H8N2O2/c15-11-9(3-1-7-13-11)5-6-10-4-2-8-14-12(10)16/h1-4,7-8H,(H,13,15)(H,14,16)
InChIKeyNXYNLUNQQGFTCF-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.46
Rot. Bonds

About 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one

3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one (PubChem CID 90772115) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one
PubChem CID90772115
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C#Cc1ccc[nH]c1=O
InChIInChI=1S/C12H8N2O2/c15-11-9(3-1-7-13-11)5-6-10-4-2-8-14-12(10)16/h1-4,7-8H,(H,13,15)(H,14,16)
InChIKeyNXYNLUNQQGFTCF-UHFFFAOYSA-N
XLogP0.46
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(Aminomethyl)pyridin-2-ol
CID 579640
CID 23185161
CID 23185161
N-(but-3-yn-1-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765699
3-Dimethylcarbamoylhydroxypyridine
CID 19704430
3-Ethynylpyridin-2-ol
CID 10057487
2-Hydroxy-N-(prop-2-yn-1-yl)nicotinamide
CID 45860499
N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731259
azane;3-methyl-1H-pyridin-2-one
CID 67118899
3-methyl-1H-pyridin-2-one;hydrate
CID 69753433
N,1-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71344104
3-((Trimethylsilyl)ethynyl)pyridin-2-ol
CID 86280140
ethane;3-methyl-1H-pyridin-2-one
CID 91405633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one (CID 90772115) is 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one is O=c1[nH]cccc1C#Cc1ccc[nH]c1=O.
What is the InChIKey of 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one?
The InChIKey is NXYNLUNQQGFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-11-9(3-1-7-13-11)5-6-10-4-2-8-14-12(10)16/h1-4,7-8H,(H,13,15)(H,14,16).
What are the key properties of 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one?
3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one has a molecular weight of 212.21 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1H-pyridin-3-yl)ethynyl]-1H-pyridin-2-one is sourced from PubChem (CID 90772115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).