3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine

C14H8ClF4N5 — CID 11653349

IUPAC3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
SMILESFc1ccc(-n2nnnc2Cc2cccnc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C14H8ClF4N5/c15-13-10(4-3-9(16)12(13)14(17,18)19)24-11(21-22-23-24)6-8-2-1-5-20-7-8/h1-5,7H,6H2
InChIKeyFSXOMKBIZUXPLS-UHFFFAOYSA-N
MW357.70 g/mol
LogP3.46
Rot. Bonds3

About 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine

3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine (PubChem CID 11653349) has the molecular formula C14H8ClF4N5 and a molecular weight of 357.70 g/mol. Its IUPAC name is 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
PubChem CID11653349
Molecular FormulaC14H8ClF4N5
Molecular Weight357.70 g/mol
Exact Mass357.04
IUPAC Name3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine
SMILESFc1ccc(-n2nnnc2Cc2cccnc2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C14H8ClF4N5/c15-13-10(4-3-9(16)12(13)14(17,18)19)24-11(21-22-23-24)6-8-2-1-5-20-7-8/h1-5,7H,6H2
InChIKeyFSXOMKBIZUXPLS-UHFFFAOYSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
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-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine (CID 11653349) is 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine is Fc1ccc(-n2nnnc2Cc2cccnc2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
The InChIKey is FSXOMKBIZUXPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5/c15-13-10(4-3-9(16)12(13)14(17,18)19)24-11(21-22-23-24)6-8-2-1-5-20-7-8/h1-5,7H,6H2.
What are the key properties of 3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine?
3-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine has a molecular weight of 357.70 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-[[1-[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]pyridine is sourced from PubChem (CID 11653349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).