4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine

C11H8BrFN2O — CID 62785834

IUPAC4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
SMILESCc1nccc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H8BrFN2O/c1-7-14-5-4-11(15-7)16-10-3-2-8(13)6-9(10)12/h2-6H,1H3
InChIKeyDARSAEMZFGIIOF-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.48
Rot. Bonds2

About 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine

4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine (PubChem CID 62785834) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
PubChem CID62785834
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
SMILESCc1nccc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H8BrFN2O/c1-7-14-5-4-11(15-7)16-10-3-2-8(13)6-9(10)12/h2-6H,1H3
InChIKeyDARSAEMZFGIIOF-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-4-(4-fluorophenoxy)pyrimidine
CID 56575813
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213818
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
CID 106536941
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
2-methyl-4-(2-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 147253984
1-[5-(2-bromo-4-fluorophenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381689
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine (CID 62785834) is 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine is Cc1nccc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine?
The InChIKey is DARSAEMZFGIIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-7-14-5-4-11(15-7)16-10-3-2-8(13)6-9(10)12/h2-6H,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine?
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine has a molecular weight of 283.10 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine is sourced from PubChem (CID 62785834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).