2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

C39H28F10N12O7 — CID 157145934

About 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid

2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 157145934) has the molecular formula C39H28F10N12O7 and a molecular weight of 966.71 g/mol. Its IUPAC name is 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 157145934
• Molecular Formula: C39H28F10N12O7
• Molecular Weight: 966.71 g/mol
• Exact Mass: 966.20
• IUPAC Name: 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
• SMILES: C.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)Nc4c(F)cccc4F)cn3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)oc1=O.Nc1c(F)cccc1F
• InChI: InChI=1S/C19H11F5N6O3.C13H8F3N5O4.C6H5F2N.CH4/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)14-6-5-9(8-25-14)16(31)26-15-10(20)3-2-4-11(15)21;1-20-12(24)25-10(19-20)7-4-8(13(14,15)16)21(18-7)9-3-2-6(5-17-9)11(22)23;7-4-2-1-3-5(8)6(4)9;/h2-8H,1H3,(H,26,31);2-5H,1H3,(H,22,23);1-3H,9H2;1H4
• InChIKey: AKRWRWMCHIIFER-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 249.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.71
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 157145934) is 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is C.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)Nc4c(F)cccc4F)cn3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(C(=O)O)cn3)n2)oc1=O.Nc1c(F)cccc1F.

What is the InChIKey of 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?

The InChIKey is AKRWRWMCHIIFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N6O3.C13H8F3N5O4.C6H5F2N.CH4/c1-29-18(32)33-17(28-29)12-7-13(19(22,23)24)30(27-12)14-6-5-9(8-25-14)16(31)26-15-10(20)3-2-4-11(15)21;1-20-12(24)25-10(19-20)7-4-8(13(14,15)16)21(18-7)9-3-2-6(5-17-9)11(22)23;7-4-2-1-3-5(8)6(4)9;/h2-8H,1H3,(H,26,31);2-5H,1H3,(H,22,23);1-3H,9H2;1H4.

What are the key properties of 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid?

2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 966.71 g/mol, XLogP of 6.69, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoroaniline;N-(2,6-difluorophenyl)-6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;methane;6-[3-(4-methyl-5-oxo-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157145934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).