2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid

C13H12N2O3 — CID 114994211

IUPAC2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccn1)n1ccccc1=O
InChIInChI=1S/C13H12N2O3/c1-13(12(17)18,10-6-2-4-8-14-10)15-9-5-3-7-11(15)16/h2-9H,1H3,(H,17,18)
InChIKeyRVYPGBGALHUHPN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.09
Rot. Bonds3

About 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid

2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid (PubChem CID 114994211) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid
PubChem CID114994211
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccn1)n1ccccc1=O
InChIInChI=1S/C13H12N2O3/c1-13(12(17)18,10-6-2-4-8-14-10)15-9-5-3-7-11(15)16/h2-9H,1H3,(H,17,18)
InChIKeyRVYPGBGALHUHPN-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239
2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114992503
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114993133
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-(carbamoylamino)-2-pyridin-2-ylpropanoic acid
CID 70071240
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid (CID 114994211) is 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid is CC(C(=O)O)(c1ccccn1)n1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid?
The InChIKey is RVYPGBGALHUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-13(12(17)18,10-6-2-4-8-14-10)15-9-5-3-7-11(15)16/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid?
2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 114994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).