[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H7BrF4N4O — CID 106776470

IUPAC[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cc(F)ccc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF4N4O/c12-6-2-1-5(13)3-7(6)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyXCTSOOKEGBXXSJ-UHFFFAOYSA-N
MW367.10 g/mol
LogP3.47
Rot. Bonds3

About [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776470) has the molecular formula C11H7BrF4N4O and a molecular weight of 367.10 g/mol. Its IUPAC name is [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776470
Molecular FormulaC11H7BrF4N4O
Molecular Weight367.10 g/mol
Exact Mass365.97
IUPAC Name[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cc(F)ccc2Br)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrF4N4O/c12-6-2-1-5(13)3-7(6)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyXCTSOOKEGBXXSJ-UHFFFAOYSA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 53.47
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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Related Compounds

[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 106776357
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766656
N-(2,4-difluorophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775940
[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776561

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776470) is [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2cc(F)ccc2Br)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is XCTSOOKEGBXXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF4N4O/c12-6-2-1-5(13)3-7(6)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20).
What are the key properties of [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 367.10 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).