5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C16H11F3N4O4 — CID 90701309

About 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 90701309) has the molecular formula C16H11F3N4O4 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
• PubChem CID: 90701309
• Molecular Formula: C16H11F3N4O4
• Molecular Weight: 380.28 g/mol
• Exact Mass: 380.07
• IUPAC Name: 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
• SMILES: Cc1c(-c2nnc(N)o2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C16H11F3N4O4/c1-7-10(12-21-22-15(20)27-12)6-11(14(25)26)13(24)23(7)9-4-2-3-8(5-9)16(17,18)19/h2-6H,1H3,(H2,20,22)(H,25,26)
• InChIKey: ANRHJJSCRPQHAX-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 124.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.28
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?

The IUPAC name of 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 90701309) is 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1c(-c2nnc(N)o2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?

The InChIKey is ANRHJJSCRPQHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O4/c1-7-10(12-21-22-15(20)27-12)6-11(14(25)26)13(24)23(7)9-4-2-3-8(5-9)16(17,18)19/h2-6H,1H3,(H2,20,22)(H,25,26).

What are the key properties of 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?

5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 380.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-amino-1,3,4-oxadiazol-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 90701309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).