5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile

C104H82B2BrCl2N27O6 — CID 172951825

About 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile

5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 172951825) has the molecular formula C104H82B2BrCl2N27O6 and a molecular weight of 1978.42 g/mol. Its IUPAC name is 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile
• PubChem CID: 172951825
• Molecular Formula: C104H82B2BrCl2N27O6
• Molecular Weight: 1978.42 g/mol
• Exact Mass: 1975.57
• IUPAC Name: 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile
• SMILES: C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)nc3)cn2)cc1.C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)nc3)cn2)cc1.N#Cc1ccc(-c2ccc(Cl)nc2)cn1.N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(Br)cn1.OB(O)c1ccc(Cl)nc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cn2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])nc3)cn2)cc1
• InChI: InChI=1S/C20H19N5O.C19H17N5O.C18H16N6.C18H10N4.C11H6ClN3.C7H6BNO2.C6H3BrN2.C5H5BClNO2/c1-13(21)14-3-5-15(6-4-14)18-9-7-16(11-23-18)17-8-10-19(24-12-17)20(22)25-26-2;1-12(20)13-2-4-14(5-3-13)17-8-6-15(10-22-17)16-7-9-18(23-11-16)19(21)24-25;19-17(20)12-3-1-11(2-4-12)15-7-5-13(9-23-15)14-6-8-16(18(21)22)24-10-14;1-20-16-6-2-13(3-7-16)18-9-5-15(12-22-18)14-4-8-17(10-19)21-11-14;12-11-4-2-9(7-15-11)8-1-3-10(5-13)14-6-8;9-5-6-1-3-7(4-2-6)8(10)11;7-5-1-2-6(3-8)9-4-5;7-5-2-1-4(3-8-5)6(9)10/h3-12H,1,21H2,2H3,(H2,22,25);2-11,25H,1,20H2,(H2,21,24);1-10H,(H3,19,20)(H3,21,22);2-9,11-12H;1-4,6-7H;1-4,10-11H;1-2,4H;1-3,9-10H
• InChIKey: NBSHTQMRTZAWGU-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 593.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1978.42
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile?

The IUPAC name of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile (CID 172951825) is 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile is C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)nc3)cn2)cc1.C=C(N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)nc3)cn2)cc1.N#Cc1ccc(-c2ccc(Cl)nc2)cn1.N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(Br)cn1.OB(O)c1ccc(Cl)nc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cn2)cc1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])nc3)cn2)cc1.

What is the InChIKey of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile?

The InChIKey is NBSHTQMRTZAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C19H17N5O.C18H16N6.C18H10N4.C11H6ClN3.C7H6BNO2.C6H3BrN2.C5H5BClNO2/c1-13(21)14-3-5-15(6-4-14)18-9-7-16(11-23-18)17-8-10-19(24-12-17)20(22)25-26-2;1-12(20)13-2-4-14(5-3-13)17-8-6-15(10-22-17)16-7-9-18(23-11-16)19(21)24-25;19-17(20)12-3-1-11(2-4-12)15-7-5-13(9-23-15)14-6-8-16(18(21)22)24-10-14;1-20-16-6-2-13(3-7-16)18-9-5-15(12-22-18)14-4-8-17(10-19)21-11-14;12-11-4-2-9(7-15-11)8-1-3-10(5-13)14-6-8;9-5-6-1-3-7(4-2-6)8(10)11;7-5-1-2-6(3-8)9-4-5;7-5-2-1-4(3-8-5)6(9)10/h3-12H,1,21H2,2H3,(H2,22,25);2-11,25H,1,20H2,(H2,21,24);1-10H,(H3,19,20)(H3,21,22);2-9,11-12H;1-4,6-7H;1-4,10-11H;1-2,4H;1-3,9-10H.

What are the key properties of 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile?

5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 1978.42 g/mol, XLogP of 15.49, 18 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 172951825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).