2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C10H8F3N3 — CID 60866656

IUPAC2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ccnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3N3/c1-7-4-5-15-16(7)9-3-2-8(6-14-9)10(11,12)13/h2-6H,1H3
InChIKeyXNOACGLJUHEUBW-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.59
Rot. Bonds1

About 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 60866656) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID60866656
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ccnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H8F3N3/c1-7-4-5-15-16(7)9-3-2-8(6-14-9)10(11,12)13/h2-6H,1H3
InChIKeyXNOACGLJUHEUBW-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 60866656) is 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is Cc1ccnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is XNOACGLJUHEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-7-4-5-15-16(7)9-3-2-8(6-14-9)10(11,12)13/h2-6H,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 227.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 60866656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).