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

C14H9ClF3N5 — CID 11610500

IUPAC3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-n2nnnc2Cc2cccnc2)c1Cl
InChIInChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
InChIKeyFFRBXZXABYMLJL-UHFFFAOYSA-N
MW339.71 g/mol
LogP3.32
Rot. Bonds3

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

3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine (PubChem CID 11610500) has the molecular formula C14H9ClF3N5 and a molecular weight of 339.71 g/mol. Its IUPAC name is 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
PubChem CID11610500
Molecular FormulaC14H9ClF3N5
Molecular Weight339.71 g/mol
Exact Mass339.05
IUPAC Name3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(-n2nnnc2Cc2cccnc2)c1Cl
InChIInChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2
InChIKeyFFRBXZXABYMLJL-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine (CID 11610500) is 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine is FC(F)(F)c1cccc(-n2nnnc2Cc2cccnc2)c1Cl.
What is the InChIKey of 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The InChIKey is FFRBXZXABYMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5/c15-13-10(14(16,17)18)4-1-5-11(13)23-12(20-21-22-23)7-9-3-2-6-19-8-9/h1-6,8H,7H2.
What are the key properties of 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine has a molecular weight of 339.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine is sourced from PubChem (CID 11610500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).