5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine

C15H10ClF3N4O2 — CID 130302402

IUPAC5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H10ClF3N4O2/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(17)13(5-11)25-15(18)19/h1-7,15H,8H2
InChIKeySDOHPDNTDYKAKH-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.64
Rot. Bonds6

About 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine

5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130302402) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130302402
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H10ClF3N4O2/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(17)13(5-11)25-15(18)19/h1-7,15H,8H2
InChIKeySDOHPDNTDYKAKH-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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Related Compounds

US10071988, Example 374
CID 130302340
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 379
CID 130302188
US10071988, Example 375
CID 130302200
US10071988, Example 378
CID 130302325
US10071988, Example 386
CID 130302360
US10071988, Example 190
CID 130302422
US10071988, Example 4
CID 130309370
US10071988, Example 5
CID 130309372

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (CID 130302402) is 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine is Fc1ccc(-n2cc(COc3ccc(Cl)cn3)nn2)cc1OC(F)F.
What is the InChIKey of 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is SDOHPDNTDYKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c16-9-1-4-14(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(17)13(5-11)25-15(18)19/h1-7,15H,8H2.
What are the key properties of 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine 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 5-chloro-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 130302402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).