5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine

C45H25BrF12N16O4 — CID 172928126

About 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine

5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine (PubChem CID 172928126) has the molecular formula C45H25BrF12N16O4 and a molecular weight of 1161.68 g/mol. Its IUPAC name is 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine.

Molecular Properties

• Compound Name: 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine
• PubChem CID: 172928126
• Molecular Formula: C45H25BrF12N16O4
• Molecular Weight: 1161.68 g/mol
• Exact Mass: 1160.12
• IUPAC Name: 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine
• SMILES: N#Cc1ncc(Br)cc1F.N#Cc1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F.N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1
• InChI: InChI=1S/C15H10F4N6O2.C15H7F4N5O.C9H6F3N3O.C6H2BrFN2/c16-9-3-8(5-22-12(9)13(20)25-26)24-14-23-6-11(27-14)10-2-1-7(4-21-10)15(17,18)19;16-10-3-9(6-22-12(10)4-20)24-14-23-7-13(25-14)11-2-1-8(5-21-11)15(17,18)19;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;7-4-1-5(8)6(2-9)10-3-4/h1-6,26H,(H2,20,25)(H,23,24);1-3,5-7H,(H,23,24);1-4H,(H2,13,15);1,3H
• InChIKey: OAXAKZKBZWNJAV-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 311.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.68
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine?

The IUPAC name of 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine (CID 172928126) is 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine.

What is the SMILES notation for 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine?

The canonical SMILES for 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine is N#Cc1ncc(Br)cc1F.N#Cc1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F.N/C(=N\O)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F.Nc1ncc(-c2ccc(C(F)(F)F)cn2)o1.

What is the InChIKey of 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine?

The InChIKey is OAXAKZKBZWNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N6O2.C15H7F4N5O.C9H6F3N3O.C6H2BrFN2/c16-9-3-8(5-22-12(9)13(20)25-26)24-14-23-6-11(27-14)10-2-1-7(4-21-10)15(17,18)19;16-10-3-9(6-22-12(10)4-20)24-14-23-7-13(25-14)11-2-1-8(5-21-11)15(17,18)19;10-9(11,12)5-1-2-6(14-3-5)7-4-15-8(13)16-7;7-4-1-5(8)6(2-9)10-3-4/h1-6,26H,(H2,20,25)(H,23,24);1-3,5-7H,(H,23,24);1-4H,(H2,13,15);1,3H.

What are the key properties of 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine?

5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine has a molecular weight of 1161.68 g/mol, XLogP of 11.22, 8 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-fluoropyridine-2-carbonitrile;3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-fluoro-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 172928126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).