tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid

C80H101B2BrN14O22 — CID 160812052

About tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid

tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid (PubChem CID 160812052) has the molecular formula C80H101B2BrN14O22 and a molecular weight of 1712.29 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid.

Molecular Properties

• Compound Name: tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid
• PubChem CID: 160812052
• Molecular Formula: C80H101B2BrN14O22
• Molecular Weight: 1712.29 g/mol
• Exact Mass: 1710.66
• IUPAC Name: tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].OB(O)c1ccccn1
• InChI: InChI=1S/C17H25BN2O6.C16H17N3O4.C16H19N3O2.C15H21N3O4.C11H13BrN2O4.C5H6BNO2/c1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-16(2,3)23-15(20)18-13-8-7-11(10-14(13)19(21)22)12-6-4-5-9-17-12;1-16(2,3)21-15(20)19-14-8-7-11(10-12(14)17)13-6-4-5-9-18-13;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;8-6(9)5-3-1-2-4-7-5/h8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20);4-6H,1-3H3,(H,13,15);1-4,8-9H
• InChIKey: SEKPDMPPBAAAPG-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 489.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.29
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid?

The IUPAC name of tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid (CID 160812052) is tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid.

What is the SMILES notation for tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid?

The canonical SMILES for tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid is CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(Br)cc1[N+](=O)[O-].OB(O)c1ccccn1.

What is the InChIKey of tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid?

The InChIKey is SEKPDMPPBAAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BN2O6.C16H17N3O4.C16H19N3O2.C15H21N3O4.C11H13BrN2O4.C5H6BNO2/c1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-16(2,3)23-15(20)18-13-8-7-11(10-14(13)19(21)22)12-6-4-5-9-17-12;1-16(2,3)21-15(20)19-14-8-7-11(10-12(14)17)13-6-4-5-9-18-13;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-11(2,3)18-10(15)13-8-5-4-7(12)6-9(8)14(16)17;8-6(9)5-3-1-2-4-7-5/h8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,18,20);4-10H,17H2,1-3H3,(H,19,20);4-5,10H,6-9H2,1-3H3,(H,19,20);4-6H,1-3H3,(H,13,15);1-4,8-9H.

What are the key properties of tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid?

tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid has a molecular weight of 1712.29 g/mol, XLogP of 15.23, 13 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid;pyridin-2-ylboronic acid is sourced from PubChem (CID 160812052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).