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

C14H10ClF2N5O2 — CID 130309656

IUPAC5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1
InChIInChI=1S/C14H10ClF2N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-2-1-3-12(4-11)24-13(16)17/h1-7,13H,8H2
InChIKeyFBWOKJSKMPHWLA-UHFFFAOYSA-N
MW353.72 g/mol
LogP2.89
Rot. Bonds6

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

5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309656) has the molecular formula C14H10ClF2N5O2 and a molecular weight of 353.72 g/mol. Its IUPAC name is 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309656
Molecular FormulaC14H10ClF2N5O2
Molecular Weight353.72 g/mol
Exact Mass353.05
IUPAC Name5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1
InChIInChI=1S/C14H10ClF2N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-2-1-3-12(4-11)24-13(16)17/h1-7,13H,8H2
InChIKeyFBWOKJSKMPHWLA-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 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309656) is 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is FC(F)Oc1cccc(-n2cc(COc3ncc(Cl)cn3)nn2)c1.
What is the InChIKey of 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is FBWOKJSKMPHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-2-1-3-12(4-11)24-13(16)17/h1-7,13H,8H2.
What are the key properties of 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
5-chloro-2-[[1-[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 5-chloro-2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).