3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one

C80H81BrCl9N21O19S2 — CID 157250126

About 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one

3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one (PubChem CID 157250126) has the molecular formula C80H81BrCl9N21O19S2 and a molecular weight of 2103.77 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one.

Molecular Properties

• Compound Name: 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one
• PubChem CID: 157250126
• Molecular Formula: C80H81BrCl9N21O19S2
• Molecular Weight: 2103.77 g/mol
• Exact Mass: 2097.18
• IUPAC Name: 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one
• SMILES: C#CC(=O)OCC.CCOC(=O)c1cn(Cc2cn3cc(Cl)cc(C4(O)COC4)c3n2)nn1.CCOC(=O)c1cn(Cc2cn3cc(Cl)cc(C4(OC(=S)SC)COC4)c3n2)nn1.Nc1ncc(Cl)cc1Br.Nc1ncc(Cl)cc1C1(O)COC1.O=C(CCl)CCl.O=C1COC1.OC1(c2cc(Cl)cn3cc(CCl)nc23)COC1.[N-]=[N+]=NCc1cn2cc(Cl)cc(C3(O)COC3)c2n1
• InChI: InChI=1S/C18H18ClN5O4S2.C16H16ClN5O4.C11H10Cl2N2O2.C11H10ClN5O2.C8H9ClN2O2.C5H4BrClN2.C5H6O2.C3H4Cl2O.C3H4O2/c1-3-27-16(25)14-8-24(22-21-14)7-12-6-23-5-11(19)4-13(15(23)20-12)18(9-26-10-18)28-17(29)30-2;1-2-26-15(23)13-7-22(20-19-13)6-11-5-21-4-10(17)3-12(14(21)18-11)16(24)8-25-9-16;12-2-8-4-15-3-7(13)1-9(10(15)14-8)11(16)5-17-6-11;12-7-1-9(11(18)5-19-6-11)10-15-8(2-14-16-13)4-17(10)3-7;9-5-1-6(7(10)11-2-5)8(12)3-13-4-8;6-4-1-3(7)2-9-5(4)8;1-3-5(6)7-4-2;4-1-3(6)2-5;4-3-1-5-2-3/h4-6,8H,3,7,9-10H2,1-2H3;3-5,7,24H,2,6,8-9H2,1H3;1,3-4,16H,2,5-6H2;1,3-4,18H,2,5-6H2;1-2,12H,3-4H2,(H2,10,11);1-2H,(H2,8,9);1H,4H2,2H3;1-2H2;1-2H2
• InChIKey: AWFXSHUOUPZOFC-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 515.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2103.77
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one?

The IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one (CID 157250126) is 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one.

What is the SMILES notation for 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one?

The canonical SMILES for 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one is C#CC(=O)OCC.CCOC(=O)c1cn(Cc2cn3cc(Cl)cc(C4(O)COC4)c3n2)nn1.CCOC(=O)c1cn(Cc2cn3cc(Cl)cc(C4(OC(=S)SC)COC4)c3n2)nn1.Nc1ncc(Cl)cc1Br.Nc1ncc(Cl)cc1C1(O)COC1.O=C(CCl)CCl.O=C1COC1.OC1(c2cc(Cl)cn3cc(CCl)nc23)COC1.[N-]=[N+]=NCc1cn2cc(Cl)cc(C3(O)COC3)c2n1.

What is the InChIKey of 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one?

The InChIKey is AWFXSHUOUPZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O4S2.C16H16ClN5O4.C11H10Cl2N2O2.C11H10ClN5O2.C8H9ClN2O2.C5H4BrClN2.C5H6O2.C3H4Cl2O.C3H4O2/c1-3-27-16(25)14-8-24(22-21-14)7-12-6-23-5-11(19)4-13(15(23)20-12)18(9-26-10-18)28-17(29)30-2;1-2-26-15(23)13-7-22(20-19-13)6-11-5-21-4-10(17)3-12(14(21)18-11)16(24)8-25-9-16;12-2-8-4-15-3-7(13)1-9(10(15)14-8)11(16)5-17-6-11;12-7-1-9(11(18)5-19-6-11)10-15-8(2-14-16-13)4-17(10)3-7;9-5-1-6(7(10)11-2-5)8(12)3-13-4-8;6-4-1-3(7)2-9-5(4)8;1-3-5(6)7-4-2;4-1-3(6)2-5;4-3-1-5-2-3/h4-6,8H,3,7,9-10H2,1-2H3;3-5,7,24H,2,6,8-9H2,1H3;1,3-4,16H,2,5-6H2;1,3-4,18H,2,5-6H2;1-2,12H,3-4H2,(H2,10,11);1-2H,(H2,8,9);1H,4H2,2H3;1-2H2;1-2H2.

What are the key properties of 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one?

3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one has a molecular weight of 2103.77 g/mol, XLogP of 11.09, 20 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-[2-(azidomethyl)-6-chloroimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;3-[6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;1,3-dichloropropan-2-one;ethyl 1-[[6-chloro-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl 1-[[6-chloro-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;ethyl prop-2-ynoate;oxetan-3-one is sourced from PubChem (CID 157250126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).