2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid

C15H15NO3 — CID 155912996

IUPAC2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
SMILESCc1cc(-c2cccc(CC(=O)O)c2)c(=O)[nH]c1C
InChIInChI=1S/C15H15NO3/c1-9-6-13(15(19)16-10(9)2)12-5-3-4-11(7-12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWAANKSYITJRRJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.29
Rot. Bonds3

About 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid

2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid (PubChem CID 155912996) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
PubChem CID155912996
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
SMILESCc1cc(-c2cccc(CC(=O)O)c2)c(=O)[nH]c1C
InChIInChI=1S/C15H15NO3/c1-9-6-13(15(19)16-10(9)2)12-5-3-4-11(7-12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWAANKSYITJRRJX-UHFFFAOYSA-N
XLogP2.29
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[7-chloro-6-[4-(dimethylamino)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
CID 162354369
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-[3-[7-chloro-6-[4-(2-fluorophenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetic acid
CID 162354351
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
2-[3-[(3Z)-3-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]phenyl]acetic acid
CID 142153330
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(1H-imidazol-5-yl)phenyl]acetic acid
CID 105454152
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid (CID 155912996) is 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid is Cc1cc(-c2cccc(CC(=O)O)c2)c(=O)[nH]c1C.
What is the InChIKey of 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid?
The InChIKey is WAANKSYITJRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-6-13(15(19)16-10(9)2)12-5-3-4-11(7-12)8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid?
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid is sourced from PubChem (CID 155912996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).