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

C55H31Br2F15N24O5 — CID 172983216

IUPAC5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESFC(F)(F)c1ccc(-c2cnc(Br)o2)nn1.FC(F)(F)c1ccc(-c2cnco2)nn1.FC(F)(F)c1ccc(Br)nn1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1
InChIInChI=1S/C14H10F3N7O2.C14H7F3N6O.C8H3BrF3N3O.C8H4F3N3O.C6H5N3.C5H2BrF3N2/c15-14(16,17)11-4-3-8(22-23-11)10-6-20-13(26-10)21-7-1-2-9(19-5-7)12(18)24-25;15-14(16,17)12-4-3-10(22-23-12)11-7-20-13(24-11)21-9-2-1-8(5-18)19-6-9;9-7-13-3-5(16-7)4-1-2-6(15-14-4)8(10,11)12;9-8(10,11)7-2-1-5(13-14-7)6-3-12-4-15-6;7-3-6-2-1-5(8)4-9-6;6-4-2-1-3(10-11-4)5(7,8)9/h1-6,25H,(H2,18,24)(H,20,21);1-4,6-7H,(H,20,21);1-3H;1-4H;1-2,4H,8H2;1-2H
InChIKeyYOJCCKSQFYUFHE-UHFFFAOYSA-N
MW1552.79 g/mol
LogP13.40
Rot. Bonds9

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

5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 172983216) has the molecular formula C55H31Br2F15N24O5 and a molecular weight of 1552.79 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
PubChem CID172983216
Molecular FormulaC55H31Br2F15N24O5
Molecular Weight1552.79 g/mol
Exact Mass1550.10
IUPAC Name5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
SMILESFC(F)(F)c1ccc(-c2cnc(Br)o2)nn1.FC(F)(F)c1ccc(-c2cnco2)nn1.FC(F)(F)c1ccc(Br)nn1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1
InChIInChI=1S/C14H10F3N7O2.C14H7F3N6O.C8H3BrF3N3O.C8H4F3N3O.C6H5N3.C5H2BrF3N2/c15-14(16,17)11-4-3-8(22-23-11)10-6-20-13(26-10)21-7-1-2-9(19-5-7)12(18)24-25;15-14(16,17)12-4-3-10(22-23-12)11-7-20-13(24-11)21-9-2-1-8(5-18)19-6-9;9-7-13-3-5(16-7)4-1-2-6(15-14-4)8(10,11)12;9-8(10,11)7-2-1-5(13-14-7)6-3-12-4-15-6;7-3-6-2-1-5(8)4-9-6;6-4-2-1-3(10-11-4)5(7,8)9/h1-6,25H,(H2,18,24)(H,20,21);1-4,6-7H,(H,20,21);1-3H;1-4H;1-2,4H,8H2;1-2H
InChIKeyYOJCCKSQFYUFHE-UHFFFAOYSA-N
XLogP13.40
TPSA427.96 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.79
LogP ≤ 513.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

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'}

Analyze 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

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
5-bromopyrimidine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carbonitrile
CID 172941824
5-bromopyrazine-2-carbonitrile;N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide;5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-amine;5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 172958522
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
5-aminopyridine-2-carbonitrile;2-bromo-5-(5-cyclopropyl-2-pyridinyl)-1,3-oxazole;5-bromopyridine-2-carbaldehyde;5-(5-bromo-2-pyridinyl)-1,3-oxazole;5-(5-cyclopropyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-cyclopropyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-cyclopropyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 172941405
5-aminopyridine-2-carbonitrile;2-bromo-5-(5-fluoro-2-pyridinyl)-1,3-oxazole;5-(5-fluoro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 172941413
5-bromo-3-methylpyridine-2-carbonitrile;2-chloro-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-3-methyl-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;3-methyl-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;5-methylpyridine-2-carbaldehyde;5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-amine;5-(5-methyl-2-pyridinyl)-1,3-oxazole
CID 172963418
2-bromo-5-(5-methyl-2-pyridinyl)-1,3-oxazole;N'-hydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-(5-methyl-2-pyridinyl)-1,3-oxazole;5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 172965943

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile (CID 172983216) is 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is FC(F)(F)c1ccc(-c2cnc(Br)o2)nn1.FC(F)(F)c1ccc(-c2cnco2)nn1.FC(F)(F)c1ccc(Br)nn1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)nn3)o2)cn1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is YOJCCKSQFYUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O2.C14H7F3N6O.C8H3BrF3N3O.C8H4F3N3O.C6H5N3.C5H2BrF3N2/c15-14(16,17)11-4-3-8(22-23-11)10-6-20-13(26-10)21-7-1-2-9(19-5-7)12(18)24-25;15-14(16,17)12-4-3-10(22-23-12)11-7-20-13(24-11)21-9-2-1-8(5-18)19-6-9;9-7-13-3-5(16-7)4-1-2-6(15-14-4)8(10,11)12;9-8(10,11)7-2-1-5(13-14-7)6-3-12-4-15-6;7-3-6-2-1-5(8)4-9-6;6-4-2-1-3(10-11-4)5(7,8)9/h1-6,25H,(H2,18,24)(H,20,21);1-4,6-7H,(H,20,21);1-3H;1-4H;1-2,4H,8H2;1-2H.
What are the key properties of 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile?
5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1552.79 g/mol, XLogP of 13.40, 9 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;3-bromo-6-(trifluoromethyl)pyridazine;2-bromo-5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;N'-hydroxy-5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide;5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazole;5-[[5-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 172983216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).