5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

C61H37BrF15N19O6 — CID 172983257

About 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile

5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172983257) has the molecular formula C61H37BrF15N19O6 and a molecular weight of 1496.97 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 172983257
• Molecular Formula: C61H37BrF15N19O6
• Molecular Weight: 1496.97 g/mol
• Exact Mass: 1495.21
• IUPAC Name: 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
• SMILES: FC(F)(F)c1ccc(-c2cnc(Br)o2)cn1.FC(F)(F)c1ccc(-c2cnco2)cn1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nc3)o2)cn1.O=Cc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C15H11F3N6O2.C15H8F3N5O.C9H4BrF3N2O.C9H5F3N2O.C7H4F3NO.C6H5N3/c16-15(17,18)12-4-1-8(5-21-12)11-7-22-14(26-11)23-9-2-3-10(20-6-9)13(19)24-25;16-15(17,18)13-4-1-9(6-21-13)12-8-22-14(24-12)23-11-3-2-10(5-19)20-7-11;10-8-15-4-6(16-8)5-1-2-7(14-3-5)9(11,12)13;10-9(11,12)8-2-1-6(3-14-8)7-4-13-5-15-7;8-7(9,10)6-2-1-5(4-12)3-11-6;7-3-6-2-1-5(8)4-9-6/h1-7,25H,(H2,19,24)(H,22,23);1-4,6-8H,(H,22,23);1-4H;1-5H;1-4H;1-2,4H,8H2
• InChIKey: ZEEISUBLHRHRPP-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 380.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1496.97
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The IUPAC name of 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172983257) is 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

What is the SMILES notation for 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The canonical SMILES for 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is FC(F)(F)c1ccc(-c2cnc(Br)o2)cn1.FC(F)(F)c1ccc(-c2cnco2)cn1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nc3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nc3)o2)cn1.O=Cc1ccc(C(F)(F)F)nc1.

What is the InChIKey of 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

The InChIKey is ZEEISUBLHRHRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2.C15H8F3N5O.C9H4BrF3N2O.C9H5F3N2O.C7H4F3NO.C6H5N3/c16-15(17,18)12-4-1-8(5-21-12)11-7-22-14(26-11)23-9-2-3-10(20-6-9)13(19)24-25;16-15(17,18)13-4-1-9(6-21-13)12-8-22-14(24-12)23-11-3-2-10(5-19)20-7-11;10-8-15-4-6(16-8)5-1-2-7(14-3-5)9(11,12)13;10-9(11,12)8-2-1-6(3-14-8)7-4-13-5-15-7;8-7(9,10)6-2-1-5(4-12)3-11-6;7-3-6-2-1-5(8)4-9-6/h1-7,25H,(H2,19,24)(H,22,23);1-4,6-8H,(H,22,23);1-4H;1-5H;1-4H;1-2,4H,8H2.

What are the key properties of 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?

5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1496.97 g/mol, XLogP of 15.48, 10 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopyridine-2-carbonitrile;2-bromo-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;6-(trifluoromethyl)pyridine-3-carbaldehyde;5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172983257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).