2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine

C8H6F3N5 — CID 124518140

IUPAC2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(Cc2nn[nH]n2)c1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-1-2-12-6(3-5)4-7-13-15-16-14-7/h1-3H,4H2,(H,13,14,15,16)
InChIKeySIJMABVKZXNMPC-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.20
Rot. Bonds2

About 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine

2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine (PubChem CID 124518140) has the molecular formula C8H6F3N5 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
PubChem CID124518140
Molecular FormulaC8H6F3N5
Molecular Weight229.16 g/mol
Exact Mass229.06
IUPAC Name2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(Cc2nn[nH]n2)c1
InChIInChI=1S/C8H6F3N5/c9-8(10,11)5-1-2-12-6(3-5)4-7-13-15-16-14-7/h1-3H,4H2,(H,13,14,15,16)
InChIKeySIJMABVKZXNMPC-UHFFFAOYSA-N
XLogP1.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine (CID 124518140) is 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(Cc2nn[nH]n2)c1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine?
The InChIKey is SIJMABVKZXNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5/c9-8(10,11)5-1-2-12-6(3-5)4-7-13-15-16-14-7/h1-3H,4H2,(H,13,14,15,16).
What are the key properties of 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine?
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine has a molecular weight of 229.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 124518140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).