ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

C35H39Cl3F6N6O6 — CID 158356260

About ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 158356260) has the molecular formula C35H39Cl3F6N6O6 and a molecular weight of 860.08 g/mol. Its IUPAC name is ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

• Compound Name: ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
• PubChem CID: 158356260
• Molecular Formula: C35H39Cl3F6N6O6
• Molecular Weight: 860.08 g/mol
• Exact Mass: 858.19
• IUPAC Name: ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
• SMILES: C.CCOC(=O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.FC(F)(F)C1(CCOc2ccn[nH]2)CC1
• InChI: InChI=1S/C17H17ClF3N3O3.C9H11F3N2O.C8H7Cl2NO2.CH4/c1-2-26-15(25)11-3-4-12(22-14(11)18)24-9-5-13(23-24)27-10-8-16(6-7-16)17(19,20)21;10-9(11,12)8(2-3-8)4-6-15-7-1-5-13-14-7;1-2-13-8(12)5-3-4-6(9)11-7(5)10;/h3-5,9H,2,6-8,10H2,1H3;1,5H,2-4,6H2,(H,13,14);3-4H,2H2,1H3;1H4
• InChIKey: GSXMDYGJARVMPB-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 143.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.08
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The IUPAC name of ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 158356260) is ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

What is the SMILES notation for ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The canonical SMILES for ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is C.CCOC(=O)c1ccc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.FC(F)(F)C1(CCOc2ccn[nH]2)CC1.

What is the InChIKey of ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The InChIKey is GSXMDYGJARVMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O3.C9H11F3N2O.C8H7Cl2NO2.CH4/c1-2-26-15(25)11-3-4-12(22-14(11)18)24-9-5-13(23-24)27-10-8-16(6-7-16)17(19,20)21;10-9(11,12)8(2-3-8)4-6-15-7-1-5-13-14-7;1-2-13-8(12)5-3-4-6(9)11-7(5)10;/h3-5,9H,2,6-8,10H2,1H3;1,5H,2-4,6H2,(H,13,14);3-4H,2H2,1H3;1H4.

What are the key properties of ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 860.08 g/mol, XLogP of 9.93, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;methane;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 158356260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).