2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide

C50H36Cl3F9I7N10O12S- — CID 159820629

About 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide

2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide (PubChem CID 159820629) has the molecular formula C50H36Cl3F9I7N10O12S- and a molecular weight of 2166.63 g/mol. Its IUPAC name is 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide.

Molecular Properties

• Compound Name: 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide
• PubChem CID: 159820629
• Molecular Formula: C50H36Cl3F9I7N10O12S-
• Molecular Weight: 2166.63 g/mol
• Exact Mass: 2164.45
• IUPAC Name: 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide
• SMILES: COC(=O)C(F)(F)S(=O)(=O)F.COc1cccn2c(=O)c(C(F)(F)F)c(Cl)nc12.COc1cccn2c(=O)c(C(F)(F)F)c(Nc3ccc4ncccc4c3)nc12.COc1cccn2c(=O)c(I)c(Cl)nc12.COc1cccn2c(=O)cc(Cl)nc12.I.II.I[I-]I
• InChI: InChI=1S/C19H13F3N4O2.C10H6ClF3N2O2.C9H6ClIN2O2.C9H7ClN2O2.C3H3F3O4S.I3.I2.HI/c1-28-14-5-3-9-26-17(14)25-16(15(18(26)27)19(20,21)22)24-12-6-7-13-11(10-12)4-2-8-23-13;1-18-5-3-2-4-16-8(5)15-7(11)6(9(16)17)10(12,13)14;1-15-5-3-2-4-13-8(5)12-7(10)6(11)9(13)14;1-14-6-3-2-4-12-8(13)5-7(10)11-9(6)12;1-10-2(7)3(4,5)11(6,8)9;1-3-2;1-2;/h2-10,24H,1H3;2-4H,1H3;2-4H,1H3;2-5H,1H3;1H3;;;1H/q;;;;;-1
• InChIKey: BWSYBBDYENEYLJ-UHFFFAOYSA-N
• XLogP: 10.92
• TPSA: 259.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.63
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide?

The IUPAC name of 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide (CID 159820629) is 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide.

What is the SMILES notation for 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide?

The canonical SMILES for 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide is COC(=O)C(F)(F)S(=O)(=O)F.COc1cccn2c(=O)c(C(F)(F)F)c(Cl)nc12.COc1cccn2c(=O)c(C(F)(F)F)c(Nc3ccc4ncccc4c3)nc12.COc1cccn2c(=O)c(I)c(Cl)nc12.COc1cccn2c(=O)cc(Cl)nc12.I.II.I[I-]I.

What is the InChIKey of 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide?

The InChIKey is BWSYBBDYENEYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2.C10H6ClF3N2O2.C9H6ClIN2O2.C9H7ClN2O2.C3H3F3O4S.I3.I2.HI/c1-28-14-5-3-9-26-17(14)25-16(15(18(26)27)19(20,21)22)24-12-6-7-13-11(10-12)4-2-8-23-13;1-18-5-3-2-4-16-8(5)15-7(11)6(9(16)17)10(12,13)14;1-15-5-3-2-4-13-8(5)12-7(10)6(11)9(13)14;1-14-6-3-2-4-12-8(13)5-7(10)11-9(6)12;1-10-2(7)3(4,5)11(6,8)9;1-3-2;1-2;/h2-10,24H,1H3;2-4H,1H3;2-4H,1H3;2-5H,1H3;1H3;;;1H/q;;;;;-1;;.

What are the key properties of 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide?

2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide has a molecular weight of 2166.63 g/mol, XLogP of 10.92, 8 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-iodo-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxypyrido[1,2-a]pyrimidin-4-one;2-chloro-9-methoxy-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;9-methoxy-2-(quinolin-6-ylamino)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;triiodide;hydroiodide is sourced from PubChem (CID 159820629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).