3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine

C14H9F4N5 — CID 11688382

IUPAC3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
SMILESFc1cccc(-c2nnnn2Cc2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H9F4N5/c15-11-5-1-4-10(12(11)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
InChIKeyJAFJCMSLIIJZDD-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.94
Rot. Bonds3

About 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine

3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine (PubChem CID 11688382) has the molecular formula C14H9F4N5 and a molecular weight of 323.25 g/mol. Its IUPAC name is 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
PubChem CID11688382
Molecular FormulaC14H9F4N5
Molecular Weight323.25 g/mol
Exact Mass323.08
IUPAC Name3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
SMILESFc1cccc(-c2nnnn2Cc2cccnc2)c1C(F)(F)F
InChIInChI=1S/C14H9F4N5/c15-11-5-1-4-10(12(11)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
InChIKeyJAFJCMSLIIJZDD-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
3-[1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetraazol-5-yl]-4-(trifluoromethyl)pyridine
CID 2727089
2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
4-(4-fluorophenyl)-2-(1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 6621349
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
3-({5-[2-chloro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11530196
3-[[5-(2,3-Dichloro-4-fluorophenyl)tetrazol-1-yl]methyl]pyridine
CID 11574070
3-({5-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-tetraazol-1-yl}methyl)pyridine
CID 11616778
8-(4-Trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
CID 57514090
3-(1-Phenyltetrazol-5-yl)pyridine
CID 3230982
3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
CID 613699
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-pyridin-4-yl-methyl]-ethyl-amine
CID 648463

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine (CID 11688382) is 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine is Fc1cccc(-c2nnnn2Cc2cccnc2)c1C(F)(F)F.
What is the InChIKey of 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The InChIKey is JAFJCMSLIIJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5/c15-11-5-1-4-10(12(11)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2.
What are the key properties of 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine has a molecular weight of 323.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 11688382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).