2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid

C15H15NO3 — CID 79023796

IUPAC2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySCKCEWULMDHYCO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid

2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid (PubChem CID 79023796) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
PubChem CID79023796
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySCKCEWULMDHYCO-UHFFFAOYSA-N
XLogP2.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid (CID 79023796) is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid is Cc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The InChIKey is SCKCEWULMDHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid is sourced from PubChem (CID 79023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).