2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol

C67H84Cl3N17O10 — CID 157426061

About 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol

2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol (PubChem CID 157426061) has the molecular formula C67H84Cl3N17O10 and a molecular weight of 1393.88 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol
• PubChem CID: 157426061
• Molecular Formula: C67H84Cl3N17O10
• Molecular Weight: 1393.88 g/mol
• Exact Mass: 1391.57
• IUPAC Name: 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol
• SMILES: CC(=O)Cc1ccc(NCCO)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(NCCO)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.Nc1ccc(NCCO)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(NCCO)nc1
• InChI: InChI=1S/C24H29ClN4O2.C14H18ClN3.C10H14N2O2.C7H9N3O3.C7H11N3O.C5H3ClN2O2/c1-24(2,3)22-15-20(29(28-22)19-6-4-5-18(25)14-19)8-9-21(31)13-17-7-10-23(27-16-17)26-11-12-30;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-8(14)6-9-2-3-10(12-7-9)11-4-5-13;11-4-3-8-7-2-1-6(5-9-7)10(12)13;8-6-1-2-7(10-5-6)9-3-4-11;6-5-2-1-4(3-7-5)8(9)10/h4-7,10,14-16,30H,8-9,11-13H2,1-3H3,(H,26,27);4-8H,9,16H2,1-3H3;2-3,7,13H,4-6H2,1H3,(H,11,12);1-2,5,11H,3-4H2,(H,8,9);1-2,5,11H,3-4,8H2,(H,9,10);1-3H
• InChIKey: BPYXMHFTBCWBOT-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 401.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1393.88
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol?

The IUPAC name of 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol (CID 157426061) is 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol.

What is the SMILES notation for 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol?

The canonical SMILES for 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol is CC(=O)Cc1ccc(NCCO)nc1.CC(C)(C)c1cc(CCC(=O)Cc2ccc(NCCO)nc2)n(-c2cccc(Cl)c2)n1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.Nc1ccc(NCCO)nc1.O=[N+]([O-])c1ccc(Cl)nc1.O=[N+]([O-])c1ccc(NCCO)nc1.

What is the InChIKey of 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol?

The InChIKey is BPYXMHFTBCWBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2.C14H18ClN3.C10H14N2O2.C7H9N3O3.C7H11N3O.C5H3ClN2O2/c1-24(2,3)22-15-20(29(28-22)19-6-4-5-18(25)14-19)8-9-21(31)13-17-7-10-23(27-16-17)26-11-12-30;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-8(14)6-9-2-3-10(12-7-9)11-4-5-13;11-4-3-8-7-2-1-6(5-9-7)10(12)13;8-6-1-2-7(10-5-6)9-3-4-11;6-5-2-1-4(3-7-5)8(9)10/h4-7,10,14-16,30H,8-9,11-13H2,1-3H3,(H,26,27);4-8H,9,16H2,1-3H3;2-3,7,13H,4-6H2,1H3,(H,11,12);1-2,5,11H,3-4H2,(H,8,9);1-2,5,11H,3-4,8H2,(H,9,10);1-3H.

What are the key properties of 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol?

2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 1393.88 g/mol, XLogP of 10.37, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-2-pyridinyl)amino]ethanol;4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-1-[6-(2-hydroxyethylamino)-3-pyridinyl]butan-2-one;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;2-chloro-5-nitropyridine;1-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-one;2-[(5-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 157426061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).