3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C9H6F3N3 — CID 11218127

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccn(-c2cccnc2)n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-3-5-15(14-8)7-2-1-4-13-6-7/h1-6H
InChIKeyZRDYPNPOVQTYPW-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.29
Rot. Bonds1

About 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 11218127) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID11218127
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1ccn(-c2cccnc2)n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-3-5-15(14-8)7-2-1-4-13-6-7/h1-6H
InChIKeyZRDYPNPOVQTYPW-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 11218127) is 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1ccn(-c2cccnc2)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is ZRDYPNPOVQTYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)8-3-5-15(14-8)7-2-1-4-13-6-7/h1-6H.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 213.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 11218127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).