bis(2-hydroxybenzoic acid);palladium(2+);diazide

C14H12N6O6Pd — CID 175699278

IUPACbis(2-hydroxybenzoic acid);palladium(2+);diazide
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Pd+2]
InChIInChI=1S/2C7H6O3.2N3.Pd/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-2;/h2*1-4,8H,(H,9,10);;;/q;;2*-1;+2
InChIKeyAOJNRAIKDDFDFA-UHFFFAOYSA-N
MW466.71 g/mol
LogP3.91
Rot. Bonds2

About bis(2-hydroxybenzoic acid);palladium(2+);diazide

bis(2-hydroxybenzoic acid);palladium(2+);diazide (PubChem CID 175699278) has the molecular formula C14H12N6O6Pd and a molecular weight of 466.71 g/mol. Its IUPAC name is bis(2-hydroxybenzoic acid);palladium(2+);diazide.

Molecular Properties

Compound Namebis(2-hydroxybenzoic acid);palladium(2+);diazide
PubChem CID175699278
Molecular FormulaC14H12N6O6Pd
Molecular Weight466.71 g/mol
Exact Mass465.99
IUPAC Namebis(2-hydroxybenzoic acid);palladium(2+);diazide
SMILESO=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Pd+2]
InChIInChI=1S/2C7H6O3.2N3.Pd/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-2;/h2*1-4,8H,(H,9,10);;;/q;;2*-1;+2
InChIKeyAOJNRAIKDDFDFA-UHFFFAOYSA-N
XLogP3.91
TPSA232.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.71
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

phthalic acid azide
CID 70600038
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxybenzoic acid);palladium(2+);diazide?
The IUPAC name of bis(2-hydroxybenzoic acid);palladium(2+);diazide (CID 175699278) is bis(2-hydroxybenzoic acid);palladium(2+);diazide.
What is the SMILES notation for bis(2-hydroxybenzoic acid);palladium(2+);diazide?
The canonical SMILES for bis(2-hydroxybenzoic acid);palladium(2+);diazide is O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Pd+2].
What is the InChIKey of bis(2-hydroxybenzoic acid);palladium(2+);diazide?
The InChIKey is AOJNRAIKDDFDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.2N3.Pd/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-2;/h2*1-4,8H,(H,9,10);;;/q;;2*-1;+2.
What are the key properties of bis(2-hydroxybenzoic acid);palladium(2+);diazide?
bis(2-hydroxybenzoic acid);palladium(2+);diazide has a molecular weight of 466.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxybenzoic acid);palladium(2+);diazide is sourced from PubChem (CID 175699278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).