2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid

C15H15NO3 — CID 79884479

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
SMILESCc1ccc(-n2c(C)cc(=O)cc2C)c(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-14(13(6-9)15(18)19)16-10(2)7-12(17)8-11(16)3/h4-8H,1-3H3,(H,18,19)
InChIKeyBBIGWKVEPJCHHA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid (PubChem CID 79884479) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
PubChem CID79884479
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
SMILESCc1ccc(-n2c(C)cc(=O)cc2C)c(C(=O)O)c1
InChIInChI=1S/C15H15NO3/c1-9-4-5-14(13(6-9)15(18)19)16-10(2)7-12(17)8-11(16)3/h4-8H,1-3H3,(H,18,19)
InChIKeyBBIGWKVEPJCHHA-UHFFFAOYSA-N
XLogP2.46
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid (CID 79884479) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid is Cc1ccc(-n2c(C)cc(=O)cc2C)c(C(=O)O)c1.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid?
The InChIKey is BBIGWKVEPJCHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-4-5-14(13(6-9)15(18)19)16-10(2)7-12(17)8-11(16)3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid is sourced from PubChem (CID 79884479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).