2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine

C15H10ClF3N4O2 — CID 130309463

IUPAC2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine
SMILESFc1cccnc1OCc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-4-3-10(6-13(11)25-15(18)19)23-7-9(21-22-23)8-24-14-12(17)2-1-5-20-14/h1-7,15H,8H2
InChIKeyFGWCIRNMKJVCMM-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.64
Rot. Bonds6

About 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine

2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine (PubChem CID 130309463) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine.

Molecular Properties

Compound Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine
PubChem CID130309463
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine
SMILESFc1cccnc1OCc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-4-3-10(6-13(11)25-15(18)19)23-7-9(21-22-23)8-24-14-12(17)2-1-5-20-14/h1-7,15H,8H2
InChIKeyFGWCIRNMKJVCMM-UHFFFAOYSA-N
XLogP3.64
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine?
The IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine (CID 130309463) is 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine.
What is the SMILES notation for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine?
The canonical SMILES for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine is Fc1cccnc1OCc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1.
What is the InChIKey of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine?
The InChIKey is FGWCIRNMKJVCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-11-4-3-10(6-13(11)25-15(18)19)23-7-9(21-22-23)8-24-14-12(17)2-1-5-20-14/h1-7,15H,8H2.
What are the key properties of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine?
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine has a molecular weight of 370.72 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-3-fluoropyridine is sourced from PubChem (CID 130309463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).