2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

C12H8F3N5O — CID 106776357

IUPAC2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1Oc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)11-18-9(20-17)5-10(19-11)21-8-4-2-1-3-7(8)6-16/h1-5H,17H2,(H,18,19,20)
InChIKeyCMEMZOJWGKPYDU-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.44
Rot. Bonds3

About 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile

2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 106776357) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
PubChem CID106776357
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccccc1Oc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H8F3N5O/c13-12(14,15)11-18-9(20-17)5-10(19-11)21-8-4-2-1-3-7(8)6-16/h1-5H,17H2,(H,18,19,20)
InChIKeyCMEMZOJWGKPYDU-UHFFFAOYSA-N
XLogP2.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(6-hydrazinyl-2-pyridinyl)oxy]benzonitrile
CID 80918520
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
[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
2-(6-amino-2-methylpyrimidin-4-yl)oxybenzonitrile
CID 80862632
[6-(2-iodophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721282
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile (CID 106776357) is 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is N#Cc1ccccc1Oc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is CMEMZOJWGKPYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c13-12(14,15)11-18-9(20-17)5-10(19-11)21-8-4-2-1-3-7(8)6-16/h1-5H,17H2,(H,18,19,20).
What are the key properties of 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile?
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 295.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 106776357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).