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

C50H33BrF4N18O5 — CID 172941413

IUPAC5-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
SMILESFc1ccc(-c2cnc(Br)o2)nc1.Fc1ccc(-c2cnco2)nc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1
InChIInChI=1S/C14H11FN6O2.C14H8FN5O.C8H4BrFN2O.C8H5FN2O.C6H5N3/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;9-8-12-4-7(13-8)6-2-1-5(10)3-11-6;9-6-1-2-7(11-3-6)8-4-10-5-12-8;7-3-6-2-1-5(8)4-9-6/h1-7,22H,(H2,16,21)(H,19,20);1-4,6-8H,(H,19,20);1-4H;1-5H;1-2,4H,8H2
InChIKeyBZOMOBJDRHYIFS-UHFFFAOYSA-N
MW1121.83 g/mol
LogP10.04
Rot. Bonds9

About 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

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 (PubChem CID 172941413) has the molecular formula C50H33BrF4N18O5 and a molecular weight of 1121.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID172941413
Molecular FormulaC50H33BrF4N18O5
Molecular Weight1121.83 g/mol
Exact Mass1120.20
IUPAC Name5-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
SMILESFc1ccc(-c2cnc(Br)o2)nc1.Fc1ccc(-c2cnco2)nc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1
InChIInChI=1S/C14H11FN6O2.C14H8FN5O.C8H4BrFN2O.C8H5FN2O.C6H5N3/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;9-8-12-4-7(13-8)6-2-1-5(10)3-11-6;9-6-1-2-7(11-3-6)8-4-10-5-12-8;7-3-6-2-1-5(8)4-9-6/h1-7,22H,(H2,16,21)(H,19,20);1-4,6-8H,(H,19,20);1-4H;1-5H;1-2,4H,8H2
InChIKeyBZOMOBJDRHYIFS-UHFFFAOYSA-N
XLogP10.04
TPSA350.62 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.83
LogP ≤ 510.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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;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 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;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
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-aminopyrazine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyrazine-2-carbonitrile
CID 172921116
2-chloro-5-(5-fluoro-2-pyridinyl)-1,3-oxazole;6-chloropyridazine-3-carbonitrile;5-fluoropyridine-2-carbaldehyde;5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-amine;5-(5-fluoro-2-pyridinyl)-1,3-oxazole;6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide;6-[[5-(5-fluoro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 172932854
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-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;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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc(-c2cnc(Br)o2)nc1.Fc1ccc(-c2cnco2)nc1.N#Cc1ccc(N)cn1.N#Cc1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1.N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(F)cn3)o2)cn1.
What is the InChIKey of 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?
The InChIKey is BZOMOBJDRHYIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2.C14H8FN5O.C8H4BrFN2O.C8H5FN2O.C6H5N3/c15-8-1-3-10(17-5-8)12-7-19-14(23-12)20-9-2-4-11(18-6-9)13(16)21-22;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;9-8-12-4-7(13-8)6-2-1-5(10)3-11-6;9-6-1-2-7(11-3-6)8-4-10-5-12-8;7-3-6-2-1-5(8)4-9-6/h1-7,22H,(H2,16,21)(H,19,20);1-4,6-8H,(H,19,20);1-4H;1-5H;1-2,4H,8H2.
What are the key properties of 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?
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 has a molecular weight of 1121.83 g/mol, XLogP of 10.04, 9 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172941413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).