[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine

C11H10BrFN4O — CID 80917617

IUPAC[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H10BrFN4O/c1-6-15-10(17-14)5-11(16-6)18-9-3-2-7(13)4-8(9)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyKFDVAODAZQIRMO-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.76
Rot. Bonds3

About [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine

[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80917617) has the molecular formula C11H10BrFN4O and a molecular weight of 313.13 g/mol. Its IUPAC name is [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80917617
Molecular FormulaC11H10BrFN4O
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H10BrFN4O/c1-6-15-10(17-14)5-11(16-6)18-9-3-2-7(13)4-8(9)12/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyKFDVAODAZQIRMO-UHFFFAOYSA-N
XLogP2.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine (CID 80917617) is [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is KFDVAODAZQIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4O/c1-6-15-10(17-14)5-11(16-6)18-9-3-2-7(13)4-8(9)12/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 313.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80917617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).