5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C19H20FNO6 — CID 165489427

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2)cc1F
InChIInChI=1S/C19H20FNO6/c1-19(2,3)27-16(22)10-21-9-12(7-13(17(21)23)18(24)25)11-5-6-15(26-4)14(20)8-11/h5-9H,10H2,1-4H3,(H,24,25)
InChIKeyQGXNGEKKKSBJIM-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.70
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165489427) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID165489427
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2)cc1F
InChIInChI=1S/C19H20FNO6/c1-19(2,3)27-16(22)10-21-9-12(7-13(17(21)23)18(24)25)11-5-6-15(26-4)14(20)8-11/h5-9H,10H2,1-4H3,(H,24,25)
InChIKeyQGXNGEKKKSBJIM-UHFFFAOYSA-N
XLogP2.70
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165489427) is 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is QGXNGEKKKSBJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-19(2,3)27-16(22)10-21-9-12(7-13(17(21)23)18(24)25)11-5-6-15(26-4)14(20)8-11/h5-9H,10H2,1-4H3,(H,24,25).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 377.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165489427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).