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

C36H36Cl3F10N5O3S2 — CID 158172427

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

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 158172427) has the molecular formula C36H36Cl3F10N5O3S2 and a molecular weight of 947.19 g/mol. Its IUPAC name is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

• Compound Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• PubChem CID: 158172427
• Molecular Formula: C36H36Cl3F10N5O3S2
• Molecular Weight: 947.19 g/mol
• Exact Mass: 945.12
• IUPAC Name: 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(S(F)(F)(F)(F)F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCl.NCc1ccc(S(F)(F)(F)(F)F)cc1
• InChI: InChI=1S/C18H16ClF5N2OS.C10H9ClN2O2.C7H8F5NS.CH3Cl/c1-2-15-18(26-11-13(19)6-10-17(26)25-15)16(27)9-5-12-3-7-14(8-4-12)28(20,21,22,23)24;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7;1-2/h3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);1-4H,5,13H2;1H3
• InChIKey: FXPPXZKSCZGEHA-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 114.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.19
LogP ≤ 5	13.93
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 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?

The IUPAC name of 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 158172427) is 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

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

The canonical SMILES for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(S(F)(F)(F)(F)F)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCl.NCc1ccc(S(F)(F)(F)(F)F)cc1.

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

The InChIKey is FXPPXZKSCZGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF5N2OS.C10H9ClN2O2.C7H8F5NS.CH3Cl/c1-2-15-18(26-11-13(19)6-10-17(26)25-15)16(27)9-5-12-3-7-14(8-4-12)28(20,21,22,23)24;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;8-14(9,10,11,12)7-3-1-6(5-13)2-4-7;1-2/h3-4,6-8,10-11H,2,5,9H2,1H3;3-5H,2H2,1H3,(H,14,15);1-4H,5,13H2;1H3.

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

6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 947.19 g/mol, XLogP of 13.93, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;chloromethane;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 158172427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).