3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine

C11H6ClF6N3O2 — CID 141138752

IUPAC3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine
SMILESFC(OC(F)(F)F)C(F)(F)Oc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C11H6ClF6N3O2/c12-6-2-1-4-19-8(6)21-5-3-7(20-21)22-10(14,15)9(13)23-11(16,17)18/h1-5,9H
InChIKeyJAEIUCZALDPTJQ-UHFFFAOYSA-N
MW361.63 g/mol
LogP3.72
Rot. Bonds5

About 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine

3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine (PubChem CID 141138752) has the molecular formula C11H6ClF6N3O2 and a molecular weight of 361.63 g/mol. Its IUPAC name is 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine
PubChem CID141138752
Molecular FormulaC11H6ClF6N3O2
Molecular Weight361.63 g/mol
Exact Mass361.01
IUPAC Name3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine
SMILESFC(OC(F)(F)F)C(F)(F)Oc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C11H6ClF6N3O2/c12-6-2-1-4-19-8(6)21-5-3-7(20-21)22-10(14,15)9(13)23-11(16,17)18/h1-5,9H
InChIKeyJAEIUCZALDPTJQ-UHFFFAOYSA-N
XLogP3.72
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-Tert-butyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]-3-chloropyridine
CID 58157408
2-[5-Methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 58840937
2-Chloro-4-methoxy-6-(3-trifluoromethyl-1H-pyrazolyl)pyridine
CID 60126576
[1-(3-Chloro-2-pyridinyl)-3-[5-(trifluoromethyl)tetrazol-1-yl]pyrazol-5-yl] hydrogen carbonate
CID 68001917
3-Chloro-2-[5-ethyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine
CID 70791473
3-Chloro-2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 71146060
3-Chloro-2-[5-methyl-3-(trifluoromethoxy)pyrazol-1-yl]pyridine
CID 89603529
[1-(3-Chloro-2-pyridinyl)-3-(difluoromethyl)pyrazol-5-yl] hydrogen carbonate
CID 90391401
[1-(3-Chloro-2-pyridinyl)-3-(difluoromethoxy)pyrazol-5-yl] hydrogen carbonate
CID 90391516
[1-(3-Chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)pyrazol-5-yl] hydrogen carbonate
CID 90391533
[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl] hydrogen carbonate
CID 90391588
3-Chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
CID 90941373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine (CID 141138752) is 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine is FC(OC(F)(F)F)C(F)(F)Oc1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine?
The InChIKey is JAEIUCZALDPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF6N3O2/c12-6-2-1-4-19-8(6)21-5-3-7(20-21)22-10(14,15)9(13)23-11(16,17)18/h1-5,9H.
What are the key properties of 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine?
3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine has a molecular weight of 361.63 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 141138752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).