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

C14H10ClF2N5O2 — CID 130309375

IUPAC2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cc(-n2cc(COc3ncccn3)nn2)ccc1Cl
InChIInChI=1S/C14H10ClF2N5O2/c15-11-3-2-10(6-12(11)24-13(16)17)22-7-9(20-21-22)8-23-14-18-4-1-5-19-14/h1-7,13H,8H2
InChIKeyXADXLHOSTVLLIE-UHFFFAOYSA-N
MW353.72 g/mol
LogP2.89
Rot. Bonds6

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

2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309375) has the molecular formula C14H10ClF2N5O2 and a molecular weight of 353.72 g/mol. Its IUPAC name is 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309375
Molecular FormulaC14H10ClF2N5O2
Molecular Weight353.72 g/mol
Exact Mass353.05
IUPAC Name2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cc(-n2cc(COc3ncccn3)nn2)ccc1Cl
InChIInChI=1S/C14H10ClF2N5O2/c15-11-3-2-10(6-12(11)24-13(16)17)22-7-9(20-21-22)8-23-14-18-4-1-5-19-14/h1-7,13H,8H2
InChIKeyXADXLHOSTVLLIE-UHFFFAOYSA-N
XLogP2.89
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309375) is 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is FC(F)Oc1cc(-n2cc(COc3ncccn3)nn2)ccc1Cl.
What is the InChIKey of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is XADXLHOSTVLLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2/c15-11-3-2-10(6-12(11)24-13(16)17)22-7-9(20-21-22)8-23-14-18-4-1-5-19-14/h1-7,13H,8H2.
What are the key properties of 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 353.72 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).