3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid

C18H13NO5 — CID 138539091

IUPAC3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2Oc2ccccc2)cc(=O)c1O
InChIInChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)
InChIKeyKWCCWLKDJYAVCR-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.24
Rot. Bonds4

About 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid

3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid (PubChem CID 138539091) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
PubChem CID138539091
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2ccccc2Oc2ccccc2)cc(=O)c1O
InChIInChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)
InChIKeyKWCCWLKDJYAVCR-UHFFFAOYSA-N
XLogP3.24
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzylamino)-2H-chromen-2-one
CID 825502
3-{[(2-Hydroxyphenyl)methyl]amino}-2H-chromen-2-one
CID 4122242
3-Amino-4-benzylaminocoumarin
CID 42999
3-hydroxy-4-oxo-6-(4-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
CID 130424264
3-hydroxy-6-(2-methoxyphenyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 138539180
3-hydroxy-4-oxo-6-(3-phenoxyphenyl)-1H-pyridine-2-carboxylic acid
CID 138539270
2H-1-Benzopyran-2-one, 4-[(2-phenylethyl)amino]-
CID 3159821
2,4-bis(2-hydroxyphenyl)-1H-[1]benzofuro[3,2-b]pyridin-7-one
CID 145977045
Benzylamino coumarin
CID 86208301
2-[1-[4-(2-Fluorophenoxy)-3-methylphenyl]ethenylamino]-3-methylbut-2-enoic acid
CID 139311604
3-[(2-Fluorophenyl)methylamino]chromen-2-one
CID 141452549
4-hydroxy-3-oxo-6-(2-phenoxyphenyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid
CID 177849409

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid (CID 138539091) is 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(-c2ccccc2Oc2ccccc2)cc(=O)c1O.
What is the InChIKey of 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is KWCCWLKDJYAVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23).
What are the key properties of 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid?
3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 138539091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).