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

C15H10Cl2F2N4O2 — CID 130309464

IUPAC3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFC(F)Oc1cc(-n2cc(COc3ncccc3Cl)nn2)ccc1Cl
InChIInChI=1S/C15H10Cl2F2N4O2/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
InChIKeyGMJZDKUFVFUCIX-UHFFFAOYSA-N
MW387.17 g/mol
LogP4.15
Rot. Bonds6

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

3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130309464) has the molecular formula C15H10Cl2F2N4O2 and a molecular weight of 387.17 g/mol. Its IUPAC name is 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130309464
Molecular FormulaC15H10Cl2F2N4O2
Molecular Weight387.17 g/mol
Exact Mass386.01
IUPAC Name3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine
SMILESFC(F)Oc1cc(-n2cc(COc3ncccc3Cl)nn2)ccc1Cl
InChIInChI=1S/C15H10Cl2F2N4O2/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
InChIKeyGMJZDKUFVFUCIX-UHFFFAOYSA-N
XLogP4.15
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.17
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The IUPAC name of 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine (CID 130309464) is 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine is FC(F)Oc1cc(-n2cc(COc3ncccc3Cl)nn2)ccc1Cl.
What is the InChIKey of 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is GMJZDKUFVFUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N4O2/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 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine?
3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine has a molecular weight of 387.17 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyridine is sourced from PubChem (CID 130309464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).