3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

C10H7ClF3N3O — CID 90941373

IUPAC3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESFC(F)(F)COc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C10H7ClF3N3O/c11-7-2-1-4-15-9(7)17-5-3-8(16-17)18-6-10(12,13)14/h1-5H,6H2
InChIKeyMTMARAFYFKVRGF-UHFFFAOYSA-N
MW277.63 g/mol
LogP2.86
Rot. Bonds3

About 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (PubChem CID 90941373) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
PubChem CID90941373
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESFC(F)(F)COc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C10H7ClF3N3O/c11-7-2-1-4-15-9(7)17-5-3-8(16-17)18-6-10(12,13)14/h1-5H,6H2
InChIKeyMTMARAFYFKVRGF-UHFFFAOYSA-N
XLogP2.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (CID 90941373) is 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is FC(F)(F)COc1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The InChIKey is MTMARAFYFKVRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-7-2-1-4-15-9(7)17-5-3-8(16-17)18-6-10(12,13)14/h1-5H,6H2.
What are the key properties of 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine has a molecular weight of 277.63 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 90941373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).