2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid

C19H15NO4 — CID 53224525

IUPAC2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OCc2ccccc2)c[nH]c1=O
InChIInChI=1S/C19H15NO4/c21-18-16(19(22)23)10-14(11-20-18)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyXAVSTBHWTIQMHH-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.32
Rot. Bonds5

About 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid

2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid (PubChem CID 53224525) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
PubChem CID53224525
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OCc2ccccc2)c[nH]c1=O
InChIInChI=1S/C19H15NO4/c21-18-16(19(22)23)10-14(11-20-18)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyXAVSTBHWTIQMHH-UHFFFAOYSA-N
XLogP3.32
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-oxo-5-phenyl-1H-pyridine-3-carboxylic acid
CID 10375975
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
5-(2-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223292
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
2-phenyl-3-phenylmethoxybenzoic acid
CID 174811177
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223755
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid (CID 53224525) is 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2OCc2ccccc2)c[nH]c1=O.
What is the InChIKey of 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is XAVSTBHWTIQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-18-16(19(22)23)10-14(11-20-18)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)(H,22,23).
What are the key properties of 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid?
2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53224525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).