5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C18H17F2NO5 — CID 165489383

About 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165489383) has the molecular formula C18H17F2NO5 and a molecular weight of 365.33 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
• PubChem CID: 165489383
• Molecular Formula: C18H17F2NO5
• Molecular Weight: 365.33 g/mol
• Exact Mass: 365.11
• IUPAC Name: 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Cn1cc(-c2cc(F)ccc2F)cc(C(=O)O)c1=O
• InChI: InChI=1S/C18H17F2NO5/c1-18(2,3)26-15(22)9-21-8-10(6-13(16(21)23)17(24)25)12-7-11(19)4-5-14(12)20/h4-8H,9H2,1-3H3,(H,24,25)
• InChIKey: JRZJTLVBCBWCHC-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 85.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.33
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The IUPAC name of 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165489383) is 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

What is the SMILES notation for 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The canonical SMILES for 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CC(C)(C)OC(=O)Cn1cc(-c2cc(F)ccc2F)cc(C(=O)O)c1=O.

What is the InChIKey of 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

The InChIKey is JRZJTLVBCBWCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO5/c1-18(2,3)26-15(22)9-21-8-10(6-13(16(21)23)17(24)25)12-7-11(19)4-5-14(12)20/h4-8H,9H2,1-3H3,(H,24,25).

What are the key properties of 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?

5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 365.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165489383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).