CID 155704691

C8H9B2NOZr — CID 155704691

IUPAC—
SMILESC/N=C/c1ccccc1O.[B].[B].[Zr]
InChIInChI=1S/C8H9NO.2B.Zr/c1-9-6-7-4-2-3-5-8(7)10;;;/h2-6,10H,1H3;;;/b9-6+;;;
InChIKeyJLYIADRXVDZILF-HCRDSFAKSA-N
MW248.01 g/mol
LogP0.68
Rot. Bonds1

About CID 155704691

CID 155704691 (PubChem CID 155704691) has the molecular formula C8H9B2NOZr and a molecular weight of 248.01 g/mol.

Molecular Properties

Compound NameCID 155704691
PubChem CID155704691
Molecular FormulaC8H9B2NOZr
Molecular Weight248.01 g/mol
Exact Mass246.99
IUPAC Name—
SMILESC/N=C/c1ccccc1O.[B].[B].[Zr]
InChIInChI=1S/C8H9NO.2B.Zr/c1-9-6-7-4-2-3-5-8(7)10;;;/h2-6,10H,1H3;;;/b9-6+;;;
InChIKeyJLYIADRXVDZILF-HCRDSFAKSA-N
XLogP0.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.01
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

zinc 2-(methyliminomethyl)phenol
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ethane;2-(methyliminomethyl)phenol
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2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
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cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033

Frequently Asked Questions

What is the IUPAC name of CID 155704691?
The IUPAC name of CID 155704691 (CID 155704691) is not available.
What is the SMILES notation for CID 155704691?
The canonical SMILES for CID 155704691 is C/N=C/c1ccccc1O.[B].[B].[Zr].
What is the InChIKey of CID 155704691?
The InChIKey is JLYIADRXVDZILF-HCRDSFAKSA-N. The full InChI is InChI=1S/C8H9NO.2B.Zr/c1-9-6-7-4-2-3-5-8(7)10;;;/h2-6,10H,1H3;;;/b9-6+;;;.
What are the key properties of CID 155704691?
CID 155704691 has a molecular weight of 248.01 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155704691 is sourced from PubChem (CID 155704691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).