3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine

C21H16F3N5 — CID 161232525

IUPAC3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nnn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C21H16F3N5/c22-21(23,24)18-9-7-15(8-10-18)12-17-5-1-2-6-19(17)20-26-28-29(27-20)14-16-4-3-11-25-13-16/h1-11,13H,12,14H2
InChIKeyNFIVOJYDXDKCTD-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.39
Rot. Bonds5

About 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine

3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine (PubChem CID 161232525) has the molecular formula C21H16F3N5 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
PubChem CID161232525
Molecular FormulaC21H16F3N5
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc(Cc2ccccc2-c2nnn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C21H16F3N5/c22-21(23,24)18-9-7-15(8-10-18)12-17-5-1-2-6-19(17)20-26-28-29(27-20)14-16-4-3-11-25-13-16/h1-11,13H,12,14H2
InChIKeyNFIVOJYDXDKCTD-UHFFFAOYSA-N
XLogP4.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(bromomethyl)pyridine;5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-2H-tetrazole;3-[[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine;hydrobromide
CID 158625242
1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
CID 158381907
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]thietan-3-ol
CID 159174513
N-[2-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 146734891
4-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]piperidin-4-ol
CID 158071686
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096103
[1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]azetidin-3-yl] methanesulfonate
CID 158194272
1-methylsulfonyl-3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyrrolidin-3-ol
CID 157096104
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
N,N-dimethyl-2-[5-[2-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]tetrazol-2-yl]ethanamine
CID 158604721
CID 160768879
CID 160768879
3-(2-benzyltetrazol-5-yl)pyridin-2-amine
CID 58399285

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine?
The IUPAC name of 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine (CID 161232525) is 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine is FC(F)(F)c1ccc(Cc2ccccc2-c2nnn(Cc3cccnc3)n2)cc1.
What is the InChIKey of 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine?
The InChIKey is NFIVOJYDXDKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5/c22-21(23,24)18-9-7-15(8-10-18)12-17-5-1-2-6-19(17)20-26-28-29(27-20)14-16-4-3-11-25-13-16/h1-11,13H,12,14H2.
What are the key properties of 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine?
3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine has a molecular weight of 395.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]methyl]pyridine is sourced from PubChem (CID 161232525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).