2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine

C15H10ClF3N4O2 — CID 130309690

IUPAC2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine
SMILESFc1cccc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-5-4-10(6-12(11)25-15(18)19)23-7-9(21-22-23)8-24-14-3-1-2-13(17)20-14/h1-7,15H,8H2
InChIKeyXMDAYFWPESDHLK-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.64
Rot. Bonds6

About 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine

2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine (PubChem CID 130309690) 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]-6-fluoropyridine.

Molecular Properties

Compound Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine
PubChem CID130309690
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine
SMILESFc1cccc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1
InChIInChI=1S/C15H10ClF3N4O2/c16-11-5-4-10(6-12(11)25-15(18)19)23-7-9(21-22-23)8-24-14-3-1-2-13(17)20-14/h1-7,15H,8H2
InChIKeyXMDAYFWPESDHLK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine?
The IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine (CID 130309690) is 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine.
What is the SMILES notation for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine?
The canonical SMILES for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine is Fc1cccc(OCc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)n1.
What is the InChIKey of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine?
The InChIKey is XMDAYFWPESDHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-11-5-4-10(6-12(11)25-15(18)19)23-7-9(21-22-23)8-24-14-3-1-2-13(17)20-14/h1-7,15H,8H2.
What are the key properties of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-fluoropyridine?
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-6-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]-6-fluoropyridine is sourced from PubChem (CID 130309690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).