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

C11H7BrClF3N4O — CID 114567756

IUPAC[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Cl)cc2Br)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrClF3N4O/c12-6-3-5(13)1-2-7(6)21-9-4-8(11(14,15)16)18-10(19-9)20-17/h1-4H,17H2,(H,18,19,20)
InChIKeyGEAHYWGIUVNGPW-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.99
Rot. Bonds3

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

[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567756) has the molecular formula C11H7BrClF3N4O and a molecular weight of 383.56 g/mol. Its IUPAC name is [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567756
Molecular FormulaC11H7BrClF3N4O
Molecular Weight383.56 g/mol
Exact Mass381.94
IUPAC Name[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2ccc(Cl)cc2Br)cc(C(F)(F)F)n1
InChIInChI=1S/C11H7BrClF3N4O/c12-6-3-5(13)1-2-7(6)21-9-4-8(11(14,15)16)18-10(19-9)20-17/h1-4H,17H2,(H,18,19,20)
InChIKeyGEAHYWGIUVNGPW-UHFFFAOYSA-N
XLogP3.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.99
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

[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567750
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162
[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80972766
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567735
2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562020
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566298
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567756) is [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(Oc2ccc(Cl)cc2Br)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is GEAHYWGIUVNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClF3N4O/c12-6-3-5(13)1-2-7(6)21-9-4-8(11(14,15)16)18-10(19-9)20-17/h1-4H,17H2,(H,18,19,20).
What are the key properties of [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 383.56 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).