6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

C17H17FN2O4 — CID 71281724

IUPAC6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H17FN2O4/c1-10-8-12(17(22)23)16(21)19-15(10)11-2-3-14(13(18)9-11)20-4-6-24-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,19,21)(H,22,23)
InChIKeyCENFJQBGRUFHQF-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.02
Rot. Bonds3

About 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid

6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71281724) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71281724
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H17FN2O4/c1-10-8-12(17(22)23)16(21)19-15(10)11-2-3-14(13(18)9-11)20-4-6-24-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,19,21)(H,22,23)
InChIKeyCENFJQBGRUFHQF-UHFFFAOYSA-N
XLogP2.02
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71281724) is 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is CENFJQBGRUFHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-10-8-12(17(22)23)16(21)19-15(10)11-2-3-14(13(18)9-11)20-4-6-24-7-5-20/h2-3,8-9H,4-7H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 332.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-morpholin-4-ylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71281724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).