6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

C16H15NO4 — CID 82099893

IUPAC6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O
InChIInChI=1S/C16H15NO4/c1-3-10-17-13(9-8-12(15(17)18)16(19)20)11-6-4-5-7-14(11)21-2/h3-9H,1,10H2,2H3,(H,19,20)
InChIKeyUXPHFAGBMGXBBE-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.41
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid

6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (PubChem CID 82099893) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
PubChem CID82099893
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
SMILESC=CCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O
InChIInChI=1S/C16H15NO4/c1-3-10-17-13(9-8-12(15(17)18)16(19)20)11-6-4-5-7-14(11)21-2/h3-9H,1,10H2,2H3,(H,19,20)
InChIKeyUXPHFAGBMGXBBE-UHFFFAOYSA-N
XLogP2.41
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099345
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonyl chloride
CID 82518988
3-(hydroxymethyl)-6-(2-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82518942

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid (CID 82099893) is 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is C=CCn1c(-c2ccccc2OC)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
The InChIKey is UXPHFAGBMGXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-10-17-13(9-8-12(15(17)18)16(19)20)11-6-4-5-7-14(11)21-2/h3-9H,1,10H2,2H3,(H,19,20).
What are the key properties of 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid?
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid is sourced from PubChem (CID 82099893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).