5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane

C59H43Cl6N17O6 — CID 172932856

About 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane

5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane (PubChem CID 172932856) has the molecular formula C59H43Cl6N17O6 and a molecular weight of 1298.82 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane.

Molecular Properties

• Compound Name: 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane
• PubChem CID: 172932856
• Molecular Formula: C59H43Cl6N17O6
• Molecular Weight: 1298.82 g/mol
• Exact Mass: 1295.17
• IUPAC Name: 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane
• SMILES: C.Clc1ccc(-c2cnc(Cl)o2)nc1.Clc1ccc(-c2cnco2)nc1.N#Cc1ccc(Cc2ncc(-c3ccc(Cl)cn3)o2)cn1.N#Cc1ccc(N)cn1.N/C(=N\O)c1ccc(Cc2ncc(-c3ccc(Cl)cn3)o2)cn1.O=Cc1ccc(Cl)cn1
• InChI: InChI=1S/C15H12ClN5O2.C15H9ClN4O.C8H4Cl2N2O.C8H5ClN2O.C6H4ClNO.C6H5N3.CH4/c16-10-2-4-11(19-7-10)13-8-20-14(23-13)5-9-1-3-12(18-6-9)15(17)21-22;16-11-2-4-13(19-8-11)14-9-20-15(21-14)5-10-1-3-12(6-17)18-7-10;9-5-1-2-6(11-3-5)7-4-12-8(10)13-7;9-6-1-2-7(11-3-6)8-4-10-5-12-8;7-5-1-2-6(4-9)8-3-5;7-3-6-2-1-5(8)4-9-6;/h1-4,6-8,22H,5H2,(H2,17,21);1-4,7-9H,5H2;1-4H;1-5H;1-4H;1-2,4H,8H2;1H4
• InChIKey: MFRGBPNEVOMQCV-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 356.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1298.82
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane?

The IUPAC name of 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane (CID 172932856) is 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane.

What is the SMILES notation for 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane?

The canonical SMILES for 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane is C.Clc1ccc(-c2cnc(Cl)o2)nc1.Clc1ccc(-c2cnco2)nc1.N#Cc1ccc(Cc2ncc(-c3ccc(Cl)cn3)o2)cn1.N#Cc1ccc(N)cn1.N/C(=N\O)c1ccc(Cc2ncc(-c3ccc(Cl)cn3)o2)cn1.O=Cc1ccc(Cl)cn1.

What is the InChIKey of 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane?

The InChIKey is MFRGBPNEVOMQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2.C15H9ClN4O.C8H4Cl2N2O.C8H5ClN2O.C6H4ClNO.C6H5N3.CH4/c16-10-2-4-11(19-7-10)13-8-20-14(23-13)5-9-1-3-12(18-6-9)15(17)21-22;16-11-2-4-13(19-8-11)14-9-20-15(21-14)5-10-1-3-12(6-17)18-7-10;9-5-1-2-6(11-3-5)7-4-12-8(10)13-7;9-6-1-2-7(11-3-6)8-4-10-5-12-8;7-5-1-2-6(4-9)8-3-5;7-3-6-2-1-5(8)4-9-6;/h1-4,6-8,22H,5H2,(H2,17,21);1-4,7-9H,5H2;1-4H;1-5H;1-4H;1-2,4H,8H2;1H4.

What are the key properties of 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane?

5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane has a molecular weight of 1298.82 g/mol, XLogP of 13.87, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-aminopyridine-2-carbonitrile;2-chloro-5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-chloropyridine-2-carbaldehyde;5-(5-chloro-2-pyridinyl)-1,3-oxazole;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]-N'-hydroxypyridine-2-carboximidamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]methyl]pyridine-2-carbonitrile;methane is sourced from PubChem (CID 172932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).