1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine

C111H105BCl4IN34O16+ — CID 159453878

About 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine

1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine (PubChem CID 159453878) has the molecular formula C111H105BCl4IN34O16+ and a molecular weight of 2450.81 g/mol. Its IUPAC name is 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine.

Molecular Properties

• Compound Name: 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine
• PubChem CID: 159453878
• Molecular Formula: C111H105BCl4IN34O16+
• Molecular Weight: 2450.81 g/mol
• Exact Mass: 2447.63
• IUPAC Name: 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine
• SMILES: C=C1N=c2cccc[n+]2=C1I.CC(=O)CCl.COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N)cn1.COC(=O)c1cnc(N)cn1.COC(=O)c1cnc(NCc2ccc(OC)cc2)cn1.COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)cn1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NO)cn2)c1.Nc1ccccn1.OB(O)c1ccnc(Cl)c1
• InChI: InChI=1S/C19H16N6O2.C18H15N7O2.C14H15N3O3.C13H10ClN3.C8H6IN2.C8H8N2.C6H5ClN2O2.2C6H7N3O2.C5H5BClNO2.C5H6N2.C3H5ClO/c1-12-18(25-8-4-3-5-17(25)23-12)13-6-7-20-15(9-13)24-16-11-21-14(10-22-16)19(26)27-2;1-11-17(25-7-3-2-4-16(25)22-11)12-5-6-19-14(8-12)23-15-10-20-13(9-21-15)18(26)24-27;1-19-11-5-3-10(4-6-11)7-16-13-9-15-12(8-17-13)14(18)20-2;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;3*1-11-6(10)4-2-9-5(7)3-8-4;7-5-3-4(6(9)10)1-2-8-5;6-5-3-1-2-4-7-5;1-3(5)2-4/h3-11H,1-2H3,(H,20,22,24);2-10,27H,1H3,(H,24,26)(H,19,21,23);3-6,8-9H,7H2,1-2H3,(H,16,17);2-8H,1H3;2-5H,1H2;2-6H,1H3;2-3H,1H3;2*2-3H,1H3,(H2,7,9);1-3,9-10H;1-4H,(H2,6,7);2H2,1H3/q;;;;+1
• InChIKey: LTSICLSFWNWWGC-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 668.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2450.81
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine?

The IUPAC name of 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine (CID 159453878) is 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine.

What is the SMILES notation for 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine?

The canonical SMILES for 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine is C=C1N=c2cccc[n+]2=C1I.CC(=O)CCl.COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(N)cn1.COC(=O)c1cnc(N)cn1.COC(=O)c1cnc(NCc2ccc(OC)cc2)cn1.COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)cn1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2cnc(C(=O)NO)cn2)c1.Nc1ccccn1.OB(O)c1ccnc(Cl)c1.

What is the InChIKey of 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine?

The InChIKey is LTSICLSFWNWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2.C18H15N7O2.C14H15N3O3.C13H10ClN3.C8H6IN2.C8H8N2.C6H5ClN2O2.2C6H7N3O2.C5H5BClNO2.C5H6N2.C3H5ClO/c1-12-18(25-8-4-3-5-17(25)23-12)13-6-7-20-15(9-13)24-16-11-21-14(10-22-16)19(26)27-2;1-11-17(25-7-3-2-4-16(25)22-11)12-5-6-19-14(8-12)23-15-10-20-13(9-21-15)18(26)24-27;1-19-11-5-3-10(4-6-11)7-16-13-9-15-12(8-17-13)14(18)20-2;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;3*1-11-6(10)4-2-9-5(7)3-8-4;7-5-3-4(6(9)10)1-2-8-5;6-5-3-1-2-4-7-5;1-3(5)2-4/h3-11H,1-2H3,(H,20,22,24);2-10,27H,1H3,(H,24,26)(H,19,21,23);3-6,8-9H,7H2,1-2H3,(H,16,17);2-8H,1H3;2-5H,1H2;2-6H,1H3;2-3H,1H3;2*2-3H,1H3,(H2,7,9);1-3,9-10H;1-4H,(H2,6,7);2H2,1H3/q;;;;+1;;;;;;;.

What are the key properties of 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine?

1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine has a molecular weight of 2450.81 g/mol, XLogP of 14.66, 19 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine is sourced from PubChem (CID 159453878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).