Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine

C₃₈H₃₈ClF₆N₅O₅ — CID 160781217

About Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine

Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 160781217) has the molecular formula C₃₈H₃₈ClF₆N₅O₅ and a molecular weight of 794.19 g/mol. Its IUPAC name is chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

• Compound Name: Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine
• PubChem CID: 160781217
• Molecular Formula: C₃₈H₃₈ClF₆N₅O₅
• Molecular Weight: 794.19 g/mol
• Exact Mass: 793.25
• IUPAC Name: chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine
• SMILES: CCl.Cc1ccn2c(C(=O)CCc3cccc(OC(F)(F)F)c3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C19H17F3N2O2.C10H10N2O2.C8H8F3NO.CH3Cl/c1-12-8-9-24-17(10-12)23-13(2)18(24)16(25)7-6-14-4-3-5-15(11-14)26-19(20,21)22;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;9-8(10,11)13-7-3-1-2-6(4-7)5-12;1-2/h3-5,8-11H,6-7H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;1H3
• InChIKey: SAPHFNIDMANCGR-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 133.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.19
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine?

The IUPAC name of Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine (CID 160781217) is chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine.

What is the SMILES notation for Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine?

The canonical SMILES for Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine is CCl.Cc1ccn2c(C(=O)CCc3cccc(OC(F)(F)F)c3)c(C)nc2c1.Cc1ccn2c(C(=O)O)c(C)nc2c1.NCc1cccc(OC(F)(F)F)c1.

What is the InChIKey of Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine?

The InChIKey is SAPHFNIDMANCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2.C10H10N2O2.C8H8F3NO.CH3Cl/c1-12-8-9-24-17(10-12)23-13(2)18(24)16(25)7-6-14-4-3-5-15(11-14)26-19(20,21)22;1-6-3-4-12-8(5-6)11-7(2)9(12)10(13)14;9-8(10,11)13-7-3-1-2-6(4-7)5-12;1-2/h3-5,8-11H,6-7H2,1-2H3;3-5H,1-2H3,(H,13,14);1-4H,5,12H2;1H3.

What are the key properties of Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine?

Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 794.19 g/mol, XLogP of 9.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Chloromethane;2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethoxy)phenyl]propan-1-one;[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 160781217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160781217 — identifiers, structure, computed properties (public domain)

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