6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

C15H14ClNO4 — CID 82519227

IUPAC6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1c(-c2ccc(Cl)cc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H14ClNO4/c1-21-9-8-17-13(10-2-4-11(16)5-3-10)7-6-12(14(17)18)15(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyAXLPGNKIWFWLPO-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.51
Rot. Bonds5

About 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid

6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82519227) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82519227
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
SMILESCOCCn1c(-c2ccc(Cl)cc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C15H14ClNO4/c1-21-9-8-17-13(10-2-4-11(16)5-3-10)7-6-12(14(17)18)15(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyAXLPGNKIWFWLPO-UHFFFAOYSA-N
XLogP2.51
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
CID 82520710
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215
2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2-methoxyethyl)-6-oxopyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 68879159
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid (CID 82519227) is 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is COCCn1c(-c2ccc(Cl)cc2)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is AXLPGNKIWFWLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-21-9-8-17-13(10-2-4-11(16)5-3-10)7-6-12(14(17)18)15(19)20/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid?
6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82519227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).