3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine

C15H12F3N5 — CID 2727089

IUPAC3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
SMILESCc1cccc(C)c1-n1nnnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C15H12F3N5/c1-9-4-3-5-10(2)13(9)23-14(20-21-22-23)11-8-19-7-6-12(11)15(16,17)18/h3-8H,1-2H3
InChIKeyWVBSSHYCYBMPKG-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.36
Rot. Bonds2

About 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine

3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine (PubChem CID 2727089) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
PubChem CID2727089
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
SMILESCc1cccc(C)c1-n1nnnc1-c1cnccc1C(F)(F)F
InChIInChI=1S/C15H12F3N5/c1-9-4-3-5-10(2)13(9)23-14(20-21-22-23)11-8-19-7-6-12(11)15(16,17)18/h3-8H,1-2H3
InChIKeyWVBSSHYCYBMPKG-UHFFFAOYSA-N
XLogP3.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine (CID 2727089) is 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine is Cc1cccc(C)c1-n1nnnc1-c1cnccc1C(F)(F)F.
What is the InChIKey of 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is WVBSSHYCYBMPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-9-4-3-5-10(2)13(9)23-14(20-21-22-23)11-8-19-7-6-12(11)15(16,17)18/h3-8H,1-2H3.
What are the key properties of 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 319.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 2727089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).