2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine

C11H7Br2FN2O — CID 107089324

IUPAC2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
SMILESFc1ccc(Br)cc1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7Br2FN2O/c12-4-7-5-15-11(16-6-7)17-10-3-8(13)1-2-9(10)14/h1-3,5-6H,4H2
InChIKeyJMTZMBWHNLAXFJ-UHFFFAOYSA-N
MW362.00 g/mol
LogP4.07
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine

2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine (PubChem CID 107089324) has the molecular formula C11H7Br2FN2O and a molecular weight of 362.00 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
PubChem CID107089324
Molecular FormulaC11H7Br2FN2O
Molecular Weight362.00 g/mol
Exact Mass359.89
IUPAC Name2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
SMILESFc1ccc(Br)cc1Oc1ncc(CBr)cn1
InChIInChI=1S/C11H7Br2FN2O/c12-4-7-5-15-11(16-6-7)17-10-3-8(13)1-2-9(10)14/h1-3,5-6H,4H2
InChIKeyJMTZMBWHNLAXFJ-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(2,3-difluorophenoxy)pyrimidine
CID 107088439
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
CID 107089318
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
5-(bromomethyl)-2-(4-chloro-2-nitrophenoxy)pyrimidine
CID 107086310
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606
[4-(5-bromo-2-fluorophenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 114677402
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine
CID 107086555

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine (CID 107089324) is 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine is Fc1ccc(Br)cc1Oc1ncc(CBr)cn1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine?
The InChIKey is JMTZMBWHNLAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O/c12-4-7-5-15-11(16-6-7)17-10-3-8(13)1-2-9(10)14/h1-3,5-6H,4H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine?
2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine has a molecular weight of 362.00 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine is sourced from PubChem (CID 107089324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).