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

C85H78BCl3IN26O9+ — CID 159739071

IUPAC1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine
SMILESC=C1N=c2cccc[n+]2=C1I.CC(=O)CCl.COC(=O)c1cnc(N)nc1.COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)nc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)cn2)c1.Nc1ccccn1.OB(O)c1ccnc(Cl)c1
InChIInChI=1S/C19H16N6O2.C18H15N7O2.C13H10ClN3.C8H6IN2.C8H8N2.C6H7N3O2.C5H5BClNO2.C5H6N2.C3H5ClO/c1-12-17(25-8-4-3-5-16(25)23-12)13-6-7-20-15(9-13)24-19-21-10-14(11-22-19)18(26)27-2;1-11-16(25-7-3-2-4-15(25)22-11)12-5-6-19-14(8-12)23-18-20-9-13(10-21-18)17(26)24-27;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;1-11-5(10)4-2-8-6(7)9-3-4;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,20,21,22,24);2-10,27H,1H3,(H,24,26)(H,19,20,21,23);2-8H,1H3;2-5H,1H2;2-6H,1H3;2-3H,1H3,(H2,7,8,9);1-3,9-10H;1-4H,(H2,6,7);2H2,1H3/q;;;+1;;;;;
InChIKeyNCFDWSFOMDOGPU-UHFFFAOYSA-N
MW1851.81 g/mol
LogP12.01
Rot. Bonds12

About 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine (PubChem CID 159739071) has the molecular formula C85H78BCl3IN26O9+ and a molecular weight of 1851.81 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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine.

Molecular Properties

Compound Name1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine
PubChem CID159739071
Molecular FormulaC85H78BCl3IN26O9+
Molecular Weight1851.81 g/mol
Exact Mass1849.46
IUPAC Name1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine
SMILESC=C1N=c2cccc[n+]2=C1I.CC(=O)CCl.COC(=O)c1cnc(N)nc1.COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)nc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)cn2)c1.Nc1ccccn1.OB(O)c1ccnc(Cl)c1
InChIInChI=1S/C19H16N6O2.C18H15N7O2.C13H10ClN3.C8H6IN2.C8H8N2.C6H7N3O2.C5H5BClNO2.C5H6N2.C3H5ClO/c1-12-17(25-8-4-3-5-16(25)23-12)13-6-7-20-15(9-13)24-19-21-10-14(11-22-19)18(26)27-2;1-11-16(25-7-3-2-4-15(25)22-11)12-5-6-19-14(8-12)23-18-20-9-13(10-21-18)17(26)24-27;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;1-11-5(10)4-2-8-6(7)9-3-4;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,20,21,22,24);2-10,27H,1H3,(H,24,26)(H,19,20,21,23);2-8H,1H3;2-5H,1H2;2-6H,1H3;2-3H,1H3,(H2,7,8,9);1-3,9-10H;1-4H,(H2,6,7);2H2,1H3/q;;;+1;;;;;
InChIKeyNCFDWSFOMDOGPU-UHFFFAOYSA-N
XLogP12.01
TPSA464.81 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.81
LogP ≤ 512.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

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'}

Analyze 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

lithium;(7-chloroimidazo[1,2-a]pyridin-2-yl)methanamine;N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide;2-(chloromethyl)-5,6-dimethylimidazo[1,2-a]pyridine;1,3-dichloropropan-2-one;1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydroxide;hydrate
CID 157821978
2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid
CID 158645446
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
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
3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;ethyl 2-amino-1,3-thiazole-5-carboxylate;ethyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxylate;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 161434289
(3-Chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine
CID 165030756

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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine (CID 159739071) is 1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine is C=C1N=c2cccc[n+]2=C1I.CC(=O)CCl.COC(=O)c1cnc(N)nc1.COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)nc1.Cc1cn2ccccc2n1.Cc1nc2ccccn2c1-c1ccnc(Cl)c1.Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine?
The InChIKey is NCFDWSFOMDOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2.C18H15N7O2.C13H10ClN3.C8H6IN2.C8H8N2.C6H7N3O2.C5H5BClNO2.C5H6N2.C3H5ClO/c1-12-17(25-8-4-3-5-16(25)23-12)13-6-7-20-15(9-13)24-19-21-10-14(11-22-19)18(26)27-2;1-11-16(25-7-3-2-4-15(25)22-11)12-5-6-19-14(8-12)23-18-20-9-13(10-21-18)17(26)24-27;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;1-11-5(10)4-2-8-6(7)9-3-4;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,20,21,22,24);2-10,27H,1H3,(H,24,26)(H,19,20,21,23);2-8H,1H3;2-5H,1H2;2-6H,1H3;2-3H,1H3,(H2,7,8,9);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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine has a molecular weight of 1851.81 g/mol, XLogP of 12.01, 12 rotatable bonds, 8 hydrogen bond donors, and 33 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-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine is sourced from PubChem (CID 159739071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).