2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

C18H13NO3 — CID 134324247

IUPAC2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyMGBAIPQCIDFEAY-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.41
Rot. Bonds3

About 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid

2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (PubChem CID 134324247) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
PubChem CID134324247
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyMGBAIPQCIDFEAY-UHFFFAOYSA-N
XLogP3.41
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3,5-diphenyl-1H-pyrrol-2-yl)methanone
CID 153465332
1-(4,6-diphenyl-2-sulfanylidene-1H-pyridin-3-yl)ethanone
CID 14615662
3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
CID 101485547
N'-hydroxy-6-naphthalen-2-yl-2-oxo-4-phenyl-1H-pyridine-3-carboximidamide
CID 136948131
6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
CID 39202461
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
2-oxo-6-phenyl-1H-pyridine-4-carboxylic acid
CID 18422120
5-bromo-2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid
CID 134330987
2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
CID 70131440
3,5-diphenyl-1H-pyrrole-2-carbohydrazide
CID 4617212
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid (CID 134324247) is 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
The InChIKey is MGBAIPQCIDFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-17-16(18(21)22)14(12-7-3-1-4-8-12)11-15(19-17)13-9-5-2-6-10-13/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid?
2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4,6-diphenyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 134324247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).