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

C14H9ClF3N5 — CID 11530196

IUPAC3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIInChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
InChIKeyGPZDXUPOKGWEQE-UHFFFAOYSA-N
MW339.71 g/mol
LogP3.46
Rot. Bonds3

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

3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine (PubChem CID 11530196) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
PubChem CID11530196
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl
InChIInChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)14(16,17)18)13-20-21-22-23(13)8-9-3-2-6-19-7-9/h1-7H,8H2
InChIKeyGPZDXUPOKGWEQE-UHFFFAOYSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine (CID 11530196) is 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine is FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl.
What is the InChIKey of 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
The InChIKey is GPZDXUPOKGWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-12-10(4-1-5-11(12)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-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine?
3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine has a molecular weight of 339.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 11530196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).