3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine

C7H4BrF2N3O — CID 67325432

IUPAC3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H4BrF2N3O/c8-5-2-12-13-3-4(14-7(9)10)1-11-6(5)13/h1-3,7H
InChIKeyOXTULMHPAVKFMF-UHFFFAOYSA-N
MW264.03 g/mol
LogP2.09
Rot. Bonds2

About 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine

3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 67325432) has the molecular formula C7H4BrF2N3O and a molecular weight of 264.03 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID67325432
Molecular FormulaC7H4BrF2N3O
Molecular Weight264.03 g/mol
Exact Mass262.95
IUPAC Name3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H4BrF2N3O/c8-5-2-12-13-3-4(14-7(9)10)1-11-6(5)13/h1-3,7H
InChIKeyOXTULMHPAVKFMF-UHFFFAOYSA-N
XLogP2.09
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine (CID 67325432) is 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine is FC(F)Oc1cnc2c(Br)cnn2c1.
What is the InChIKey of 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OXTULMHPAVKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3O/c8-5-2-12-13-3-4(14-7(9)10)1-11-6(5)13/h1-3,7H.
What are the key properties of 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine?
3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 264.03 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 67325432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).