1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate

C94H95BCl3IN23O10+ — CID 161150322

About 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate

1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate (PubChem CID 161150322) has the molecular formula C94H95BCl3IN23O10+ and a molecular weight of 1951.02 g/mol. Its IUPAC name is 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate.

Molecular Properties

• Compound Name: 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate
• PubChem CID: 161150322
• Molecular Formula: C94H95BCl3IN23O10+
• Molecular Weight: 1951.02 g/mol
• Exact Mass: 1948.58
• IUPAC Name: 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate
• SMILES: C=C1N=c2cc(C)cc[n+]2=C1I.CC(=O)CCl.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(Nc2cc(-c3c(C)nc4cc(C)ccn34)ccn2)nc1.Cc1ccn2c(-c3ccnc(Cl)c3)c(C)nc2c1.Cc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cn4)c3)c(C)nc2c1.Cc1ccn2cc(C)nc2c1.Cc1ccnc(N)c1.O.OB(O)c1ccnc(Cl)c1
• InChI: InChI=1S/C21H19N5O2.C20H18N6O2.C14H12ClN3.C9H8IN2.C9H10N2.C7H8N2O2.C6H8N2.C5H5BClNO2.C3H5ClO.H2O/c1-13-7-9-26-19(10-13)24-14(2)20(26)15-6-8-22-18(11-15)25-17-5-4-16(12-23-17)21(27)28-3;1-12-6-8-26-18(9-12)23-13(2)19(26)14-5-7-21-17(10-14)24-16-4-3-15(11-22-16)20(27)25-28;1-9-4-6-18-13(7-9)17-10(2)14(18)11-3-5-16-12(15)8-11;1-6-3-4-12-8(5-6)11-7(2)9(12)10;1-7-3-4-11-6-8(2)10-9(11)5-7;1-11-7(10)5-2-3-6(8)9-4-5;1-5-2-3-8-6(7)4-5;7-5-3-4(6(9)10)1-2-8-5;1-3(5)2-4;/h4-12H,1-3H3,(H,22,23,25);3-11,28H,1-2H3,(H,25,27)(H,21,22,24);3-8H,1-2H3;3-5H,2H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,9);2-4H,1H3,(H2,7,8);1-3,9-10H;2H2,1H3;1H2/q;;;+1
• InChIKey: ZMEBYKYMZRBRGP-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 457.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.02
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'iodine', '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)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate?

The IUPAC name of 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate (CID 161150322) is 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate.

What is the SMILES notation for 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate?

The canonical SMILES for 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate is C=C1N=c2cc(C)cc[n+]2=C1I.CC(=O)CCl.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(Nc2cc(-c3c(C)nc4cc(C)ccn34)ccn2)nc1.Cc1ccn2c(-c3ccnc(Cl)c3)c(C)nc2c1.Cc1ccn2c(-c3ccnc(Nc4ccc(C(=O)NO)cn4)c3)c(C)nc2c1.Cc1ccn2cc(C)nc2c1.Cc1ccnc(N)c1.O.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)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate?

The InChIKey is ZMEBYKYMZRBRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2.C20H18N6O2.C14H12ClN3.C9H8IN2.C9H10N2.C7H8N2O2.C6H8N2.C5H5BClNO2.C3H5ClO.H2O/c1-13-7-9-26-19(10-13)24-14(2)20(26)15-6-8-22-18(11-15)25-17-5-4-16(12-23-17)21(27)28-3;1-12-6-8-26-18(9-12)23-13(2)19(26)14-5-7-21-17(10-14)24-16-4-3-15(11-22-16)20(27)25-28;1-9-4-6-18-13(7-9)17-10(2)14(18)11-3-5-16-12(15)8-11;1-6-3-4-12-8(5-6)11-7(2)9(12)10;1-7-3-4-11-6-8(2)10-9(11)5-7;1-11-7(10)5-2-3-6(8)9-4-5;1-5-2-3-8-6(7)4-5;7-5-3-4(6(9)10)1-2-8-5;1-3(5)2-4;/h4-12H,1-3H3,(H,22,23,25);3-11,28H,1-2H3,(H,25,27)(H,21,22,24);3-8H,1-2H3;3-5H,2H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,9);2-4H,1H3,(H2,7,8);1-3,9-10H;2H2,1H3;1H2/q;;;+1;;;;;;.

What are the key properties of 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate?

1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate has a molecular weight of 1951.02 g/mol, XLogP of 14.86, 12 rotatable bonds, 8 hydrogen bond donors, and 30 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)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate is sourced from PubChem (CID 161150322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).