bis(4-hydroxybenzonitrile);zirconium(2+);dichloride

C14H10Cl2N2O2Zr — CID 174392675

IUPACbis(4-hydroxybenzonitrile);zirconium(2+);dichloride
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C7H5NO.2ClH.Zr/c2*8-5-6-1-3-7(9)4-2-6;;;/h2*1-4,9H;2*1H;/q;;;;+2/p-2
InChIKeyUPGARRPDCJFZBJ-UHFFFAOYSA-L
MW400.38 g/mol
LogP-3.47
Rot. Bonds

About bis(4-hydroxybenzonitrile);zirconium(2+);dichloride

bis(4-hydroxybenzonitrile);zirconium(2+);dichloride (PubChem CID 174392675) has the molecular formula C14H10Cl2N2O2Zr and a molecular weight of 400.38 g/mol. Its IUPAC name is bis(4-hydroxybenzonitrile);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(4-hydroxybenzonitrile);zirconium(2+);dichloride
PubChem CID174392675
Molecular FormulaC14H10Cl2N2O2Zr
Molecular Weight400.38 g/mol
Exact Mass397.92
IUPAC Namebis(4-hydroxybenzonitrile);zirconium(2+);dichloride
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C7H5NO.2ClH.Zr/c2*8-5-6-1-3-7(9)4-2-6;;;/h2*1-4,9H;2*1H;/q;;;;+2/p-2
InChIKeyUPGARRPDCJFZBJ-UHFFFAOYSA-L
XLogP-3.47
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 5-3.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxybenzonitrile
CID 53435365
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
azane;benzene-1,4-dicarbonitrile
CID 174336566
bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038975
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
4-hydroxybenzonitrile;3-prop-2-enoxyprop-1-ene
CID 21472413
2,4-difluorophenol;4-hydroxybenzonitrile
CID 174859454
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium
CID 142757545
4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 47262874
4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
CID 15541186

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzonitrile);zirconium(2+);dichloride?
The IUPAC name of bis(4-hydroxybenzonitrile);zirconium(2+);dichloride (CID 174392675) is bis(4-hydroxybenzonitrile);zirconium(2+);dichloride.
What is the SMILES notation for bis(4-hydroxybenzonitrile);zirconium(2+);dichloride?
The canonical SMILES for bis(4-hydroxybenzonitrile);zirconium(2+);dichloride is N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(4-hydroxybenzonitrile);zirconium(2+);dichloride?
The InChIKey is UPGARRPDCJFZBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO.2ClH.Zr/c2*8-5-6-1-3-7(9)4-2-6;;;/h2*1-4,9H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(4-hydroxybenzonitrile);zirconium(2+);dichloride?
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride has a molecular weight of 400.38 g/mol, XLogP of -3.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzonitrile);zirconium(2+);dichloride is sourced from PubChem (CID 174392675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).