5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine

C12H10BrFN2O — CID 118119650

IUPAC5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine
SMILESCc1ncc(COc2cc(Br)ccc2F)cn1
InChIInChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3
InChIKeyVGGDACKISHLAEJ-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.27
Rot. Bonds3

About 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine

5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine (PubChem CID 118119650) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine
PubChem CID118119650
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine
SMILESCc1ncc(COc2cc(Br)ccc2F)cn1
InChIInChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3
InChIKeyVGGDACKISHLAEJ-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine 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-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?
The IUPAC name of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine (CID 118119650) is 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?
The canonical SMILES for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine is Cc1ncc(COc2cc(Br)ccc2F)cn1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?
The InChIKey is VGGDACKISHLAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-8-15-5-9(6-16-8)7-17-12-4-10(13)2-3-11(12)14/h2-6H,7H2,1H3.
What are the key properties of 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine?
5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine has a molecular weight of 297.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylpyrimidine is sourced from PubChem (CID 118119650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).