sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite

C106H95B3Br2Cl4CuFN24NaO10 — CID 158044605

IUPACsodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite
SMILESBr[Cu]Br.CC(C)(C)ON=O.Cc1ccc(-c2cc(F)ncc2C#N)cc1.Cc1ccc(-c2cc(N)ncc2C#N)cc1.Cc1ccc(-c2nc(Cl)ccc2C#N)cc1.Cc1ccc(-c2nc(N)cnc2C#N)cc1.Cc1ccc(-c2ncccc2C#N)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.N#Cc1cccnc1Cl.N#Cc1cnc(N)cc1Cl.N#Cc1ncc(N)nc1Cl.O=N[O-].[Na+]
InChIInChI=1S/C13H9ClN2.C13H9FN2.C13H11N3.C13H10N2.C12H10N4.3C7H9BO2.C6H4ClN3.C6H3ClN2.C5H3ClN4.C4H9NO2.2BrH.Cu.HNO2.Na/c1-9-2-4-10(5-3-9)13-11(8-15)6-7-12(14)16-13;1-9-2-4-10(5-3-9)12-6-13(14)16-8-11(12)7-15;1-9-2-4-10(5-3-9)12-6-13(15)16-8-11(12)7-14;1-10-4-6-11(7-5-10)13-12(9-14)3-2-8-15-13;1-8-2-4-9(5-3-8)12-10(6-13)15-7-11(14)16-12;3*1-6-2-4-7(5-3-6)8(9)10;7-5-1-6(9)10-3-4(5)2-8;7-6-5(4-8)2-1-3-9-6;6-5-3(1-7)9-2-4(8)10-5;1-4(2,3)7-5-6;;;;2-1-3;/h2-7H,1H3;2-6,8H,1H3;2-6,8H,1H3,(H2,15,16);2-8H,1H3;2-5,7H,1H3,(H2,14,16);3*2-5,9-10H,1H3;1,3H,(H2,9,10);1-3H;2H,(H2,8,10);1-3H3;2*1H;;(H,2,3);/q;;;;;;;;;;;;;;+2;;+1/p-3
InChIKeyFITGVIQEYMATBW-UHFFFAOYSA-K
MW2304.67 g/mol
LogP16.83
Rot. Bonds9

About sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite

sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite (PubChem CID 158044605) has the molecular formula C106H95B3Br2Cl4CuFN24NaO10 and a molecular weight of 2304.67 g/mol. Its IUPAC name is sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite.

Molecular Properties

Compound Namesodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite
PubChem CID158044605
Molecular FormulaC106H95B3Br2Cl4CuFN24NaO10
Molecular Weight2304.67 g/mol
Exact Mass2299.42
IUPAC Namesodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite
SMILESBr[Cu]Br.CC(C)(C)ON=O.Cc1ccc(-c2cc(F)ncc2C#N)cc1.Cc1ccc(-c2cc(N)ncc2C#N)cc1.Cc1ccc(-c2nc(Cl)ccc2C#N)cc1.Cc1ccc(-c2nc(N)cnc2C#N)cc1.Cc1ccc(-c2ncccc2C#N)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.N#Cc1cccnc1Cl.N#Cc1cnc(N)cc1Cl.N#Cc1ncc(N)nc1Cl.O=N[O-].[Na+]
InChIInChI=1S/C13H9ClN2.C13H9FN2.C13H11N3.C13H10N2.C12H10N4.3C7H9BO2.C6H4ClN3.C6H3ClN2.C5H3ClN4.C4H9NO2.2BrH.Cu.HNO2.Na/c1-9-2-4-10(5-3-9)13-11(8-15)6-7-12(14)16-13;1-9-2-4-10(5-3-9)12-6-13(14)16-8-11(12)7-15;1-9-2-4-10(5-3-9)12-6-13(15)16-8-11(12)7-14;1-10-4-6-11(7-5-10)13-12(9-14)3-2-8-15-13;1-8-2-4-9(5-3-8)12-10(6-13)15-7-11(14)16-12;3*1-6-2-4-7(5-3-6)8(9)10;7-5-1-6(9)10-3-4(5)2-8;7-6-5(4-8)2-1-3-9-6;6-5-3(1-7)9-2-4(8)10-5;1-4(2,3)7-5-6;;;;2-1-3;/h2-7H,1H3;2-6,8H,1H3;2-6,8H,1H3,(H2,15,16);2-8H,1H3;2-5,7H,1H3,(H2,14,16);3*2-5,9-10H,1H3;1,3H,(H2,9,10);1-3H;2H,(H2,8,10);1-3H3;2*1H;;(H,2,3);/q;;;;;;;;;;;;;;+2;;+1/p-3
InChIKeyFITGVIQEYMATBW-UHFFFAOYSA-K
XLogP16.83
TPSA635.83 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds9
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.67
LogP ≤ 516.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite with MolForge

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Related Compounds

3-Bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 161234754

Frequently Asked Questions

What is the IUPAC name of sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite?
The IUPAC name of sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite (CID 158044605) is sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite.
What is the SMILES notation for sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite?
The canonical SMILES for sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite is Br[Cu]Br.CC(C)(C)ON=O.Cc1ccc(-c2cc(F)ncc2C#N)cc1.Cc1ccc(-c2cc(N)ncc2C#N)cc1.Cc1ccc(-c2nc(Cl)ccc2C#N)cc1.Cc1ccc(-c2nc(N)cnc2C#N)cc1.Cc1ccc(-c2ncccc2C#N)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.Cc1ccc(B(O)O)cc1.N#Cc1cccnc1Cl.N#Cc1cnc(N)cc1Cl.N#Cc1ncc(N)nc1Cl.O=N[O-].[Na+].
What is the InChIKey of sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite?
The InChIKey is FITGVIQEYMATBW-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9ClN2.C13H9FN2.C13H11N3.C13H10N2.C12H10N4.3C7H9BO2.C6H4ClN3.C6H3ClN2.C5H3ClN4.C4H9NO2.2BrH.Cu.HNO2.Na/c1-9-2-4-10(5-3-9)13-11(8-15)6-7-12(14)16-13;1-9-2-4-10(5-3-9)12-6-13(14)16-8-11(12)7-15;1-9-2-4-10(5-3-9)12-6-13(15)16-8-11(12)7-14;1-10-4-6-11(7-5-10)13-12(9-14)3-2-8-15-13;1-8-2-4-9(5-3-8)12-10(6-13)15-7-11(14)16-12;3*1-6-2-4-7(5-3-6)8(9)10;7-5-1-6(9)10-3-4(5)2-8;7-6-5(4-8)2-1-3-9-6;6-5-3(1-7)9-2-4(8)10-5;1-4(2,3)7-5-6;;;;2-1-3;/h2-7H,1H3;2-6,8H,1H3;2-6,8H,1H3,(H2,15,16);2-8H,1H3;2-5,7H,1H3,(H2,14,16);3*2-5,9-10H,1H3;1,3H,(H2,9,10);1-3H;2H,(H2,8,10);1-3H3;2*1H;;(H,2,3);/q;;;;;;;;;;;;;;+2;;+1/p-3.
What are the key properties of sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite?
sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite has a molecular weight of 2304.67 g/mol, XLogP of 16.83, 9 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-amino-3-chloropyrazine-2-carbonitrile;6-amino-4-chloropyridine-3-carbonitrile;5-amino-3-(4-methylphenyl)pyrazine-2-carbonitrile;6-amino-4-(4-methylphenyl)pyridine-3-carbonitrile;tert-butyl nitrite;6-chloro-2-(4-methylphenyl)pyridine-3-carbonitrile;2-chloropyridine-3-carbonitrile;dibromocopper;6-fluoro-4-(4-methylphenyl)pyridine-3-carbonitrile;tris((4-methylphenyl)boronic acid);2-(4-methylphenyl)pyridine-3-carbonitrile;nitrite is sourced from PubChem (CID 158044605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).