4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine

C13H13FN4 — CID 173215184

IUPAC4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1c(C2=CCNCC2)cccc1-n1ccnn1
InChIInChI=1S/C13H13FN4/c14-13-11(10-4-6-15-7-5-10)2-1-3-12(13)18-9-8-16-17-18/h1-4,8-9,15H,5-7H2
InChIKeyUTBOLEGZDMCLAG-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.78
Rot. Bonds2

About 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine

4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 173215184) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID173215184
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1c(C2=CCNCC2)cccc1-n1ccnn1
InChIInChI=1S/C13H13FN4/c14-13-11(10-4-6-15-7-5-10)2-1-3-12(13)18-9-8-16-17-18/h1-4,8-9,15H,5-7H2
InChIKeyUTBOLEGZDMCLAG-UHFFFAOYSA-N
XLogP1.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine (CID 173215184) is 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine is Fc1c(C2=CCNCC2)cccc1-n1ccnn1.
What is the InChIKey of 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is UTBOLEGZDMCLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c14-13-11(10-4-6-15-7-5-10)2-1-3-12(13)18-9-8-16-17-18/h1-4,8-9,15H,5-7H2.
What are the key properties of 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine?
4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 244.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(triazol-1-yl)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 173215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).