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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride

C103H84B2BrCl4N29O8 — CID 172932393

About 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride

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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride (PubChem CID 172932393) has the molecular formula C103H84B2BrCl4N29O8 and a molecular weight of 2099.34 g/mol. Its IUPAC name is 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride.

Molecular Properties

• Compound Name: 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride
• PubChem CID: 172932393
• Molecular Formula: C103H84B2BrCl4N29O8
• Molecular Weight: 2099.34 g/mol
• Exact Mass: 2095.52
• IUPAC Name: 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride
• SMILES: CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)nc3)cn2)cc1.Cl.Cl.N#Cc1ccc(-c2ccc(Cl)nc2)cn1.N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(Br)cn1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)nc2)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/C20H20N6O2.C18H16N6O2.C18H16N6.C18H10N4.C11H6ClN3.C7H6BNO2.C6H3BrN2.C5H5BClNO2.2ClH/c1-27-25-19(21)14-5-3-13(4-6-14)17-9-7-15(11-23-17)16-8-10-18(24-12-16)20(22)26-28-2;19-17(23-25)12-3-1-11(2-4-12)15-7-5-13(9-21-15)14-6-8-16(22-10-14)18(20)24-26;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,1-2H3,(H2,21,25)(H2,22,26);1-10,25-26H,(H2,19,23)(H2,20,24);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;2*1H
• InChIKey: WRIGLNFATOXUIY-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 647.30 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.34
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

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-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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride?

The IUPAC name of 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride (CID 172932393) is 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride.

What is the SMILES notation for 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride?

The canonical SMILES for 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride is CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)nc3)cn2)cc1.Cl.Cl.N#Cc1ccc(-c2ccc(Cl)nc2)cn1.N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(Br)cn1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)nc2)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-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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride?

The InChIKey is WRIGLNFATOXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C18H16N6O2.C18H16N6.C18H10N4.C11H6ClN3.C7H6BNO2.C6H3BrN2.C5H5BClNO2.2ClH/c1-27-25-19(21)14-5-3-13(4-6-14)17-9-7-15(11-23-17)16-8-10-18(24-12-16)20(22)26-28-2;19-17(23-25)12-3-1-11(2-4-12)15-7-5-13(9-21-15)14-6-8-16(22-10-14)18(20)24-26;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,1-2H3,(H2,21,25)(H2,22,26);1-10,25-26H,(H2,19,23)(H2,20,24);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;2*1H.

What are the key properties of 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride?

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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride has a molecular weight of 2099.34 g/mol, XLogP of 14.84, 19 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 172932393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).