5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid

C20H17NO5 — CID 58067690

IUPAC5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C20H17NO5/c1-26-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-21-11-17(20(24)25)19(23)18(22)12-21/h2-9,11-12,22H,10H2,1H3,(H,24,25)
InChIKeyGXXDDBISWQDCGW-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.98
Rot. Bonds5

About 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067690) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067690
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C20H17NO5/c1-26-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-21-11-17(20(24)25)19(23)18(22)12-21/h2-9,11-12,22H,10H2,1H3,(H,24,25)
InChIKeyGXXDDBISWQDCGW-UHFFFAOYSA-N
XLogP2.98
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067668
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
[2-(3-methoxyphenyl)phenyl]methyl propanoate
CID 57074260
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
N-(3-chlorophenyl)sulfonyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide
CID 58067547
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
N-ethyl-5-hydroxy-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide;N-ethyl-5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxamide;ethyl 5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylate;ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate;5-methyl-4-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carboxylic acid
CID 159648699
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
CID 57278925
3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141266731
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid (CID 58067690) is 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid is COc1cccc(-c2ccccc2Cn2cc(O)c(=O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is GXXDDBISWQDCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-26-15-7-4-6-13(9-15)16-8-3-2-5-14(16)10-21-11-17(20(24)25)19(23)18(22)12-21/h2-9,11-12,22H,10H2,1H3,(H,24,25).
What are the key properties of 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).