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

C14H9Cl2F2N5O2 — CID 130309391

IUPAC5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cc(-n2cc(COc3ncc(Cl)cn3)nn2)ccc1Cl
InChIInChI=1S/C14H9Cl2F2N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2
InChIKeyZYIVRWRHTNYLOL-UHFFFAOYSA-N
MW388.16 g/mol
LogP3.54
Rot. Bonds6

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

5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309391) has the molecular formula C14H9Cl2F2N5O2 and a molecular weight of 388.16 g/mol. Its IUPAC name is 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309391
Molecular FormulaC14H9Cl2F2N5O2
Molecular Weight388.16 g/mol
Exact Mass387.01
IUPAC Name5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cc(-n2cc(COc3ncc(Cl)cn3)nn2)ccc1Cl
InChIInChI=1S/C14H9Cl2F2N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2
InChIKeyZYIVRWRHTNYLOL-UHFFFAOYSA-N
XLogP3.54
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 53.54
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-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309391) is 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is FC(F)Oc1cc(-n2cc(COc3ncc(Cl)cn3)nn2)ccc1Cl.
What is the InChIKey of 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is ZYIVRWRHTNYLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2.
What are the key properties of 5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
5-chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 388.16 g/mol, XLogP of 3.54, 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-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).