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

C14H13NO5 — CID 53223755

IUPAC5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2c[nH]c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO5/c1-19-9-3-4-12(20-2)10(6-9)8-5-11(14(17)18)13(16)15-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBSJJUNUITXNTCQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.76
Rot. Bonds4

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

5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223755) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223755
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccc(OC)c(-c2c[nH]c(=O)c(C(=O)O)c2)c1
InChIInChI=1S/C14H13NO5/c1-19-9-3-4-12(20-2)10(6-9)8-5-11(14(17)18)13(16)15-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyBSJJUNUITXNTCQ-UHFFFAOYSA-N
XLogP1.76
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
5-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223742
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(4-acetylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223113
2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
CID 53224525
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 53223755) is 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is COc1ccc(OC)c(-c2c[nH]c(=O)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BSJJUNUITXNTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-9-3-4-12(20-2)10(6-9)8-5-11(14(17)18)13(16)15-7-8/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).