2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine

C10H8F3N3O — CID 141330198

IUPAC2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-17-7-1-2-8(14-5-7)9-3-4-15-16-9/h1-5H,6H2,(H,15,16)
InChIKeyFXNTYJUEFPOMGK-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.41
Rot. Bonds3

About 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine

2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 141330198) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID141330198
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-17-7-1-2-8(14-5-7)9-3-4-15-16-9/h1-5H,6H2,(H,15,16)
InChIKeyFXNTYJUEFPOMGK-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine (CID 141330198) is 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is FXNTYJUEFPOMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)6-17-7-1-2-8(14-5-7)9-3-4-15-16-9/h1-5H,6H2,(H,15,16).
What are the key properties of 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine?
2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 243.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 141330198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).