2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C9H6F3N3 — CID 611600

IUPAC2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1-5H,(H,14,15)
InChIKeyDUXRDJNQKDYVNE-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.49
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 611600) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID611600
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1-5H,(H,14,15)
InChIKeyDUXRDJNQKDYVNE-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 611600) is 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is DUXRDJNQKDYVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6/h1-5H,(H,14,15).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 213.16 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 611600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).