4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C9H6F3N3 — CID 2822970

IUPAC4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
InChIKeyNBMPNCPZAYFDRU-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.49
Rot. Bonds1

About 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 2822970) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID2822970
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
InChIKeyNBMPNCPZAYFDRU-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 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 2822970) is 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is NBMPNCPZAYFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15).
What are the key properties of 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-[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 4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 2822970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).