2-hydroxybenzaldehyde;nickel(2+)

C7H6NiO2+2 — CID 18320961

IUPAC2-hydroxybenzaldehyde;nickel(2+)
SMILESO=Cc1ccccc1O.[Ni+2]
InChIInChI=1S/C7H6O2.Ni/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+2
InChIKeyLWYLEPCHODNCFU-UHFFFAOYSA-N
MW180.82 g/mol
LogP1.20
Rot. Bonds1

About 2-hydroxybenzaldehyde;nickel(2+)

2-hydroxybenzaldehyde;nickel(2+) (PubChem CID 18320961) has the molecular formula C7H6NiO2+2 and a molecular weight of 180.82 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;nickel(2+).

Molecular Properties

Compound Name2-hydroxybenzaldehyde;nickel(2+)
PubChem CID18320961
Molecular FormulaC7H6NiO2+2
Molecular Weight180.82 g/mol
Exact Mass179.97
IUPAC Name2-hydroxybenzaldehyde;nickel(2+)
SMILESO=Cc1ccccc1O.[Ni+2]
InChIInChI=1S/C7H6O2.Ni/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+2
InChIKeyLWYLEPCHODNCFU-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.82
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 158421076
CID 158421076
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;methanamine
CID 174602056
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
aniline;2-hydroxybenzaldehyde
CID 159847329
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
bis(2-ethyl-2-(hydroxymethyl)propane-1,3-diol);2-hydroxybenzaldehyde
CID 175183399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;nickel(2+)?
The IUPAC name of 2-hydroxybenzaldehyde;nickel(2+) (CID 18320961) is 2-hydroxybenzaldehyde;nickel(2+).
What is the SMILES notation for 2-hydroxybenzaldehyde;nickel(2+)?
The canonical SMILES for 2-hydroxybenzaldehyde;nickel(2+) is O=Cc1ccccc1O.[Ni+2].
What is the InChIKey of 2-hydroxybenzaldehyde;nickel(2+)?
The InChIKey is LWYLEPCHODNCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.Ni/c8-5-6-3-1-2-4-7(6)9;/h1-5,9H;/q;+2.
What are the key properties of 2-hydroxybenzaldehyde;nickel(2+)?
2-hydroxybenzaldehyde;nickel(2+) has a molecular weight of 180.82 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;nickel(2+) is sourced from PubChem (CID 18320961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).