3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid

C19H15NO3 — CID 12879285

IUPAC3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C19H15NO3/c1-20-11-16(13-6-3-2-4-7-13)18(21)17(12-20)14-8-5-9-15(10-14)19(22)23/h2-12H,1H3,(H,22,23)
InChIKeyXWDHZBMZZGGMKI-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.42
Rot. Bonds3

About 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid

3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid (PubChem CID 12879285) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
PubChem CID12879285
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
SMILESCn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C19H15NO3/c1-20-11-16(13-6-3-2-4-7-13)18(21)17(12-20)14-8-5-9-15(10-14)19(22)23/h2-12H,1H3,(H,22,23)
InChIKeyXWDHZBMZZGGMKI-UHFFFAOYSA-N
XLogP3.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid?
The IUPAC name of 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid (CID 12879285) is 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid.
What is the SMILES notation for 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid?
The canonical SMILES for 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid is Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid?
The InChIKey is XWDHZBMZZGGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20-11-16(13-6-3-2-4-7-13)18(21)17(12-20)14-8-5-9-15(10-14)19(22)23/h2-12H,1H3,(H,22,23).
What are the key properties of 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid?
3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid is sourced from PubChem (CID 12879285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).