3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine

C15H11ClF2N4O2 — CID 130309372

IUPAC3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFC(F)Oc1cc(-n2cc(COc3cccnc3)nn2)ccc1Cl
InChIInChI=1S/C15H11ClF2N4O2/c16-13-4-3-11(6-14(13)24-15(17)18)22-8-10(20-21-22)9-23-12-2-1-5-19-7-12/h1-8,15H,9H2
InChIKeyFSJJMRNDUDYWHK-UHFFFAOYSA-N
MW352.73 g/mol
LogP3.50
Rot. Bonds6

About 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine

3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130309372) has the molecular formula C15H11ClF2N4O2 and a molecular weight of 352.73 g/mol. Its IUPAC name is 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130309372
Molecular FormulaC15H11ClF2N4O2
Molecular Weight352.73 g/mol
Exact Mass352.05
IUPAC Name3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFC(F)Oc1cc(-n2cc(COc3cccnc3)nn2)ccc1Cl
InChIInChI=1S/C15H11ClF2N4O2/c16-13-4-3-11(6-14(13)24-15(17)18)22-8-10(20-21-22)9-23-12-2-1-5-19-7-12/h1-8,15H,9H2
InChIKeyFSJJMRNDUDYWHK-UHFFFAOYSA-N
XLogP3.50
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10071988, Example 374
CID 130302340
US10071988, Example 2
CID 130309368
US10071988, Example 10
CID 130309375
4-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-4-
CID 130309378
US10071988, Example 14
CID 130309382
US10071988, Example 23
CID 130309386
US10071988, Example 22
CID 130309388
[1-[4-Chloro-3-(trifluoromethoxy)phenyl]triazol-4-yl]methanol
CID 152270061
4-Chloro-3-(2-pyridinylmethoxy)benzenamine
CID 64008775
US10071988, Example 379
CID 130302188
US10071988, Example 375
CID 130302200
US10071988, Example 376
CID 130302222

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The IUPAC name of 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine (CID 130309372) is 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine is FC(F)Oc1cc(-n2cc(COc3cccnc3)nn2)ccc1Cl.
What is the InChIKey of 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is FSJJMRNDUDYWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O2/c16-13-4-3-11(6-14(13)24-15(17)18)22-8-10(20-21-22)9-23-12-2-1-5-19-7-12/h1-8,15H,9H2.
What are the key properties of 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine has a molecular weight of 352.73 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 130309372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).