2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine

C13H8F3N5O — CID 58929286

IUPAC2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
SMILESFC(F)(F)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C13H8F3N5O/c14-13(15,16)22-10-6-4-9(5-7-10)21-19-12(18-20-21)11-3-1-2-8-17-11/h1-8H
InChIKeyKQYFOKWOYOMNCP-UHFFFAOYSA-N
MW307.24 g/mol
LogP2.62
Rot. Bonds3

About 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine

2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine (PubChem CID 58929286) has the molecular formula C13H8F3N5O and a molecular weight of 307.24 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
PubChem CID58929286
Molecular FormulaC13H8F3N5O
Molecular Weight307.24 g/mol
Exact Mass307.07
IUPAC Name2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
SMILESFC(F)(F)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C13H8F3N5O/c14-13(15,16)22-10-6-4-9(5-7-10)21-19-12(18-20-21)11-3-1-2-8-17-11/h1-8H
InChIKeyKQYFOKWOYOMNCP-UHFFFAOYSA-N
XLogP2.62
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine (CID 58929286) is 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine is FC(F)(F)Oc1ccc(-n2nnc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine?
The InChIKey is KQYFOKWOYOMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O/c14-13(15,16)22-10-6-4-9(5-7-10)21-19-12(18-20-21)11-3-1-2-8-17-11/h1-8H.
What are the key properties of 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine?
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine has a molecular weight of 307.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 58929286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).