5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine

C21H17FN4O — CID 155514779

IUPAC5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1
InChIInChI=1S/C21H17FN4O/c1-27-21-11-10-17(12-23-21)16-8-6-15(7-9-16)13-26-14-20(24-25-26)18-4-2-3-5-19(18)22/h2-12,14H,13H2,1H3
InChIKeyAOXMXKZZJGQNES-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.20
Rot. Bonds5

About 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine

5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine (PubChem CID 155514779) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
PubChem CID155514779
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1
InChIInChI=1S/C21H17FN4O/c1-27-21-11-10-17(12-23-21)16-8-6-15(7-9-16)13-26-14-20(24-25-26)18-4-2-3-5-19(18)22/h2-12,14H,13H2,1H3
InChIKeyAOXMXKZZJGQNES-UHFFFAOYSA-N
XLogP4.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine?
The IUPAC name of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine (CID 155514779) is 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine.
What is the SMILES notation for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine?
The canonical SMILES for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine is COc1ccc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1.
What is the InChIKey of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine?
The InChIKey is AOXMXKZZJGQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-27-21-11-10-17(12-23-21)16-8-6-15(7-9-16)13-26-14-20(24-25-26)18-4-2-3-5-19(18)22/h2-12,14H,13H2,1H3.
What are the key properties of 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine?
5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine has a molecular weight of 360.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2-fluorophenyl)triazol-1-yl]methyl]phenyl]-2-methoxypyridine is sourced from PubChem (CID 155514779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).