ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid

C13H14N2O3 — CID 91141021

IUPACethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C11H8N2O3.C2H6/c14-10-8(11(15)16)1-2-9(13-10)7-3-5-12-6-4-7;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3
InChIKeyURZXUFQAWNRJLG-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.16
Rot. Bonds2

About ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid

ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid (PubChem CID 91141021) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
PubChem CID91141021
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
SMILESCC.O=C(O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C11H8N2O3.C2H6/c14-10-8(11(15)16)1-2-9(13-10)7-3-5-12-6-4-7;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3
InChIKeyURZXUFQAWNRJLG-UHFFFAOYSA-N
XLogP2.16
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidine-1-carbonyl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 129353314
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 124559390
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356855
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
6-(2-methylpropyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 20553799
2-oxo-6-[4-(pyridin-3-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 22750275
3-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 124592587
2-(aminomethyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid;hydrochloride
CID 24778427
3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 129448563

Frequently Asked Questions

What is the IUPAC name of ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The IUPAC name of ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid (CID 91141021) is ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid is CC.O=C(O)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
The InChIKey is URZXUFQAWNRJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3.C2H6/c14-10-8(11(15)16)1-2-9(13-10)7-3-5-12-6-4-7;1-2/h1-6H,(H,13,14)(H,15,16);1-2H3.
What are the key properties of ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid?
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 91141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).