6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid

C62H64BClN12O9 — CID 159562109

About 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid

6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid (PubChem CID 159562109) has the molecular formula C62H64BClN12O9 and a molecular weight of 1167.53 g/mol. Its IUPAC name is 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid
• PubChem CID: 159562109
• Molecular Formula: C62H64BClN12O9
• Molecular Weight: 1167.53 g/mol
• Exact Mass: 1166.47
• IUPAC Name: 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid
• SMILES: C.C.C.C.Nc1nc(-c2cccnc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.OB(O)c1cccnc1.c1ccc(COc2ccc(-c3nc4nc(-c5cccnc5)ccc4[nH]3)cc2)cc1
• InChI: InChI=1S/C24H18N4O.C14H12O2.C10H8N4O2.C5H6BNO2.C5H4ClN3O2.4CH4/c1-2-5-17(6-3-1)16-29-20-10-8-18(9-11-20)23-27-22-13-12-21(26-24(22)28-23)19-7-4-14-25-15-19;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;11-10-9(14(15)16)4-3-8(13-10)7-2-1-5-12-6-7;8-6(9)5-2-1-3-7-4-5;6-4-2-1-3(9(10)11)5(7)8-4;;;;/h1-15H,16H2,(H,26,27,28);1-10H,11H2;1-6H,(H2,11,13);1-4,8-9H;1-2H,(H2,7,8);4*1H4
• InChIKey: MGTDGQSUROZJKH-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 320.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1167.53
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid?

The IUPAC name of 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid (CID 159562109) is 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid.

What is the SMILES notation for 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid?

The canonical SMILES for 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid is C.C.C.C.Nc1nc(-c2cccnc2)ccc1[N+](=O)[O-].Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.OB(O)c1cccnc1.c1ccc(COc2ccc(-c3nc4nc(-c5cccnc5)ccc4[nH]3)cc2)cc1.

What is the InChIKey of 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid?

The InChIKey is MGTDGQSUROZJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O.C14H12O2.C10H8N4O2.C5H6BNO2.C5H4ClN3O2.4CH4/c1-2-5-17(6-3-1)16-29-20-10-8-18(9-11-20)23-27-22-13-12-21(26-24(22)28-23)19-7-4-14-25-15-19;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;11-10-9(14(15)16)4-3-8(13-10)7-2-1-5-12-6-7;8-6(9)5-2-1-3-7-4-5;6-4-2-1-3(9(10)11)5(7)8-4;;;;/h1-15H,16H2,(H,26,27,28);1-10H,11H2;1-6H,(H2,11,13);1-4,8-9H;1-2H,(H2,7,8);4*1H4.

What are the key properties of 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid?

6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid has a molecular weight of 1167.53 g/mol, XLogP of 12.51, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-nitropyridin-2-amine;methane;3-nitro-6-pyridin-3-ylpyridin-2-amine;4-phenylmethoxybenzaldehyde;2-(4-phenylmethoxyphenyl)-5-pyridin-3-yl-1H-imidazo[4,5-b]pyridine;pyridin-3-ylboronic acid is sourced from PubChem (CID 159562109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).