5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine

C11H8BrF2N3O — CID 135246884

IUPAC5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2Br)cn1
InChIInChI=1S/C11H8BrF2N3O/c1-11(13,14)9-3-2-7(4-16-9)18-10-8(12)5-15-6-17-10/h2-6H,1H3
InChIKeyGJIUNICTZJOSGU-UHFFFAOYSA-N
MW316.11 g/mol
LogP3.54
Rot. Bonds3

About 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine

5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135246884) has the molecular formula C11H8BrF2N3O and a molecular weight of 316.11 g/mol. Its IUPAC name is 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135246884
Molecular FormulaC11H8BrF2N3O
Molecular Weight316.11 g/mol
Exact Mass314.98
IUPAC Name5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2Br)cn1
InChIInChI=1S/C11H8BrF2N3O/c1-11(13,14)9-3-2-7(4-16-9)18-10-8(12)5-15-6-17-10/h2-6H,1H3
InChIKeyGJIUNICTZJOSGU-UHFFFAOYSA-N
XLogP3.54
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine (CID 135246884) is 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine is CC(F)(F)c1ccc(Oc2ncncc2Br)cn1.
What is the InChIKey of 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is GJIUNICTZJOSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O/c1-11(13,14)9-3-2-7(4-16-9)18-10-8(12)5-15-6-17-10/h2-6H,1H3.
What are the key properties of 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 316.11 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135246884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).