4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine

C21H17FN4O2 — CID 156834070

IUPAC4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine
SMILESCOc1ccc(OC)c(-c2ccc(-n3cc(-c4ccncc4F)nn3)cc2)c1
InChIInChI=1S/C21H17FN4O2/c1-27-16-7-8-21(28-2)18(11-16)14-3-5-15(6-4-14)26-13-20(24-25-26)17-9-10-23-12-19(17)22/h3-13H,1-2H3
InChIKeyYILHMGVWVFSYAE-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.15
Rot. Bonds5

About 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine

4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine (PubChem CID 156834070) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine.

Molecular Properties

Compound Name4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine
PubChem CID156834070
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine
SMILESCOc1ccc(OC)c(-c2ccc(-n3cc(-c4ccncc4F)nn3)cc2)c1
InChIInChI=1S/C21H17FN4O2/c1-27-16-7-8-21(28-2)18(11-16)14-3-5-15(6-4-14)26-13-20(24-25-26)17-9-10-23-12-19(17)22/h3-13H,1-2H3
InChIKeyYILHMGVWVFSYAE-UHFFFAOYSA-N
XLogP4.15
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine?
The IUPAC name of 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine (CID 156834070) is 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine.
What is the SMILES notation for 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine?
The canonical SMILES for 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine is COc1ccc(OC)c(-c2ccc(-n3cc(-c4ccncc4F)nn3)cc2)c1.
What is the InChIKey of 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine?
The InChIKey is YILHMGVWVFSYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-27-16-7-8-21(28-2)18(11-16)14-3-5-15(6-4-14)26-13-20(24-25-26)17-9-10-23-12-19(17)22/h3-13H,1-2H3.
What are the key properties of 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine?
4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine has a molecular weight of 376.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine is sourced from PubChem (CID 156834070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).