chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C36H38ClF10N5O3S2 — CID 159163594

About chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 159163594) has the molecular formula C36H38ClF10N5O3S2 and a molecular weight of 878.30 g/mol. Its IUPAC name is chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

• Compound Name: chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• PubChem CID: 159163594
• Molecular Formula: C36H38ClF10N5O3S2
• Molecular Weight: 878.30 g/mol
• Exact Mass: 877.19
• IUPAC Name: chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• SMILES: CCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1
• InChI: InChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS.CH3Cl/c1-12-3-10-17-24-13(2)18(25(17)11-12)16(26)9-6-14-4-7-15(8-5-14)27(19,20,21,22)23;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7;1-2/h3-5,7-8,10-11H,6,9H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2;1H3
• InChIKey: KKULCKXZRTVIMC-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 114.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.30
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The IUPAC name of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 159163594) is chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

What is the SMILES notation for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The canonical SMILES for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is CCl.Cc1ccc2nc(C)c(C(=O)CCc3ccc(S(F)(F)(F)(F)F)cc3)n2c1.Cc1ccc2nc(C)c(C(=O)O)n2c1.NCc1ccc(S(F)(F)(F)(F)F)cc1.

What is the InChIKey of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The InChIKey is KKULCKXZRTVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N2OS.C10H10N2O2.C7H8F5NS.CH3Cl/c1-12-3-10-17-24-13(2)18(25(17)11-12)16(26)9-6-14-4-7-15(8-5-14)27(19,20,21,22)23;1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7;1-2/h3-5,7-8,10-11H,6,9H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,13H2;1H3.

What are the key properties of chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 878.30 g/mol, XLogP of 12.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 159163594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).