2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide

C8H9N5O3Pt — CID 160801912

IUPAC2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
SMILESNCc1ccccn1.O=[C-]C(=O)O.[N-]=[N+]=[N-].[Pt+2]
InChIInChI=1S/C6H8N2.C2HO3.N3.Pt/c7-5-6-3-1-2-4-8-6;3-1-2(4)5;1-3-2;/h1-4H,5,7H2;(H,4,5);;/q;2*-1;+2
InChIKeyYJQHBCQZAIWUSS-UHFFFAOYSA-N
MW418.27 g/mol
LogP0.58
Rot. Bonds2

About 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide

2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide (PubChem CID 160801912) has the molecular formula C8H9N5O3Pt and a molecular weight of 418.27 g/mol. Its IUPAC name is 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide.

Molecular Properties

Compound Name2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
PubChem CID160801912
Molecular FormulaC8H9N5O3Pt
Molecular Weight418.27 g/mol
Exact Mass418.04
IUPAC Name2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide
SMILESNCc1ccccn1.O=[C-]C(=O)O.[N-]=[N+]=[N-].[Pt+2]
InChIInChI=1S/C6H8N2.C2HO3.N3.Pt/c7-5-6-3-1-2-4-8-6;3-1-2(4)5;1-3-2;/h1-4H,5,7H2;(H,4,5);;/q;2*-1;+2
InChIKeyYJQHBCQZAIWUSS-UHFFFAOYSA-N
XLogP0.58
TPSA151.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide?
The IUPAC name of 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide (CID 160801912) is 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide.
What is the SMILES notation for 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide?
The canonical SMILES for 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide is NCc1ccccn1.O=[C-]C(=O)O.[N-]=[N+]=[N-].[Pt+2].
What is the InChIKey of 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide?
The InChIKey is YJQHBCQZAIWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2HO3.N3.Pt/c7-5-6-3-1-2-4-8-6;3-1-2(4)5;1-3-2;/h1-4H,5,7H2;(H,4,5);;/q;2*-1;+2.
What are the key properties of 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide?
2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide has a molecular weight of 418.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoacetic acid;platinum(2+);pyridin-2-ylmethanamine;azide is sourced from PubChem (CID 160801912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).