2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine

C19H12F3N5 — CID 10150315

IUPAC2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H12F3N5/c20-19(21,22)16-9-2-1-8-15(16)13-6-5-7-14(12-13)27-25-18(24-26-27)17-10-3-4-11-23-17/h1-12H
InChIKeySKDVTITYKQZQFL-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.41
Rot. Bonds3

About 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine

2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine (PubChem CID 10150315) has the molecular formula C19H12F3N5 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine
PubChem CID10150315
Molecular FormulaC19H12F3N5
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC Name2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H12F3N5/c20-19(21,22)16-9-2-1-8-15(16)13-6-5-7-14(12-13)27-25-18(24-26-27)17-10-3-4-11-23-17/h1-12H
InChIKeySKDVTITYKQZQFL-UHFFFAOYSA-N
XLogP4.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine (CID 10150315) is 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine is FC(F)(F)c1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine?
The InChIKey is SKDVTITYKQZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5/c20-19(21,22)16-9-2-1-8-15(16)13-6-5-7-14(12-13)27-25-18(24-26-27)17-10-3-4-11-23-17/h1-12H.
What are the key properties of 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine?
2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine has a molecular weight of 367.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(trifluoromethyl)phenyl]phenyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 10150315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).