2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine

C9H8F2N4 — CID 72724828

IUPAC2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCC(F)(F)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C9H8F2N4/c1-9(10,11)7-4-2-3-6(14-7)8-12-5-13-15-8/h2-5H,1H3,(H,12,13,15)
InChIKeyVCLPSRPTVOZUSG-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.98
Rot. Bonds2

About 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine

2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 72724828) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID72724828
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCC(F)(F)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C9H8F2N4/c1-9(10,11)7-4-2-3-6(14-7)8-12-5-13-15-8/h2-5H,1H3,(H,12,13,15)
InChIKeyVCLPSRPTVOZUSG-UHFFFAOYSA-N
XLogP1.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine (CID 72724828) is 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine is CC(F)(F)c1cccc(-c2ncn[nH]2)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is VCLPSRPTVOZUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c1-9(10,11)7-4-2-3-6(14-7)8-12-5-13-15-8/h2-5H,1H3,(H,12,13,15).
What are the key properties of 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine?
2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 210.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 72724828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).