benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine

C150H154BCl3IN31O17 — CID 161210146

About benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine

benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine (PubChem CID 161210146) has the molecular formula C150H154BCl3IN31O17 and a molecular weight of 2907.16 g/mol. Its IUPAC name is benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine.

Molecular Properties

• Compound Name: benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine
• PubChem CID: 161210146
• Molecular Formula: C150H154BCl3IN31O17
• Molecular Weight: 2907.16 g/mol
• Exact Mass: 2904.03
• IUPAC Name: benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine
• SMILES: C.CC(=O)CCl.CO.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)cc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1cccc(Nc2ccc(C(=O)NOC3CCCCO3)cc2)c1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)c1.Cc1nc2ccccn2c1I.NOC1CCCCO1.Nc1ccccc1N.Nc1ccccn1.OB(O)c1ccnc(Cl)c1
• InChI: InChI=1S/C26H26N4O3.C21H18N4O2.C20H17N5O2.C20H16N4O2.C13H10ClN3.C8H7IN2.C8H8N2.C8H9NO2.C6H8N2.C5H5BClNO2.C5H6N2.C5H11NO2.C3H5ClO.CH4O.CH4/c1-18-25(30-15-4-2-9-23(30)27-18)20-7-6-8-22(17-20)28-21-13-11-19(12-14-21)26(31)29-33-24-10-3-5-16-32-24;1-14-20(25-12-4-3-5-19(25)23-14)16-10-11-22-18(13-16)24-17-8-6-15(7-9-17)21(26)27-2;1-13-19(25-11-3-2-4-18(25)22-13)15-9-10-21-17(12-15)23-16-7-5-14(6-8-16)20(26)24-27;1-13-19(24-11-3-2-4-18(24)22-13)15-9-10-21-17(12-15)23-16-7-5-14(6-8-16)20(25)26;1-9-13(10-5-6-15-11(14)8-10)17-7-3-2-4-12(17)16-9;1-6-8(9)11-5-3-2-4-7(11)10-6;1-7-6-10-5-3-2-4-8(10)9-7;1-11-8(10)6-2-4-7(9)5-3-6;7-5-3-1-2-4-6(5)8;7-5-3-4(6(9)10)1-2-8-5;6-5-3-1-2-4-7-5;6-8-5-3-1-2-4-7-5;1-3(5)2-4;1-2;/h2,4,6-9,11-15,17,24,28H,3,5,10,16H2,1H3,(H,29,31);3-13H,1-2H3,(H,22,24);2-12,27H,1H3,(H,21,23)(H,24,26);2-12H,1H3,(H,21,23)(H,25,26);2-8H,1H3;2-5H,1H3;2-6H,1H3;2-5H,9H2,1H3;1-4H,7-8H2;1-3,9-10H;1-4H,(H2,6,7);5H,1-4,6H2;2H2,1H3;2H,1H3;1H4
• InChIKey: UWCXYQGTJBEXBI-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 659.67 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 45
• Rotatable Bonds: 23
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.16
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine?

The IUPAC name of benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine (CID 161210146) is benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine.

What is the SMILES notation for benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine?

The canonical SMILES for benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine is C.CC(=O)CCl.CO.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)cc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1cccc(Nc2ccc(C(=O)NOC3CCCCO3)cc2)c1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NO)cc2)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)c1.Cc1nc2ccccn2c1I.NOC1CCCCO1.Nc1ccccc1N.Nc1ccccn1.OB(O)c1ccnc(Cl)c1.

What is the InChIKey of benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine?

The InChIKey is UWCXYQGTJBEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3.C21H18N4O2.C20H17N5O2.C20H16N4O2.C13H10ClN3.C8H7IN2.C8H8N2.C8H9NO2.C6H8N2.C5H5BClNO2.C5H6N2.C5H11NO2.C3H5ClO.CH4O.CH4/c1-18-25(30-15-4-2-9-23(30)27-18)20-7-6-8-22(17-20)28-21-13-11-19(12-14-21)26(31)29-33-24-10-3-5-16-32-24;1-14-20(25-12-4-3-5-19(25)23-14)16-10-11-22-18(13-16)24-17-8-6-15(7-9-17)21(26)27-2;1-13-19(25-11-3-2-4-18(25)22-13)15-9-10-21-17(12-15)23-16-7-5-14(6-8-16)20(26)24-27;1-13-19(24-11-3-2-4-18(24)22-13)15-9-10-21-17(12-15)23-16-7-5-14(6-8-16)20(25)26;1-9-13(10-5-6-15-11(14)8-10)17-7-3-2-4-12(17)16-9;1-6-8(9)11-5-3-2-4-7(11)10-6;1-7-6-10-5-3-2-4-8(10)9-7;1-11-8(10)6-2-4-7(9)5-3-6;7-5-3-1-2-4-6(5)8;7-5-3-4(6(9)10)1-2-8-5;6-5-3-1-2-4-7-5;6-8-5-3-1-2-4-7-5;1-3(5)2-4;1-2;/h2,4,6-9,11-15,17,24,28H,3,5,10,16H2,1H3,(H,29,31);3-13H,1-2H3,(H,22,24);2-12,27H,1H3,(H,21,23)(H,24,26);2-12H,1H3,(H,21,23)(H,25,26);2-8H,1H3;2-5H,1H3;2-6H,1H3;2-5H,9H2,1H3;1-4H,7-8H2;1-3,9-10H;1-4H,(H2,6,7);5H,1-4,6H2;2H2,1H3;2H,1H3;1H4.

What are the key properties of benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine?

benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine has a molecular weight of 2907.16 g/mol, XLogP of 27.89, 23 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzamide;3-iodo-2-methylimidazo[1,2-a]pyridine;methane;methanol;methyl 4-aminobenzoate;2-methylimidazo[1,2-a]pyridine;4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)anilino]-N-(oxan-2-yloxy)benzamide;4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoic acid;methyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]benzoate;O-(oxan-2-yl)hydroxylamine;pyridin-2-amine is sourced from PubChem (CID 161210146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).