6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum

C18H10N3O4Pt- — CID 58709065

IUPAC6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum
SMILESN#Cc1cc(Oc2ccccn2)[c-]c(Oc2cccc(C(=O)O)n2)c1.[Pt]
InChIInChI=1S/C18H10N3O4.Pt/c19-11-12-8-13(24-16-5-1-2-7-20-16)10-14(9-12)25-17-6-3-4-15(21-17)18(22)23;/h1-9H,(H,22,23);/q-1;
InChIKeyOWIVFSRFPYRGKS-UHFFFAOYSA-N
MW527.37 g/mol
LogP3.43
Rot. Bonds5

About 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum

6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum (PubChem CID 58709065) has the molecular formula C18H10N3O4Pt- and a molecular weight of 527.37 g/mol. Its IUPAC name is 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum
PubChem CID58709065
Molecular FormulaC18H10N3O4Pt-
Molecular Weight527.37 g/mol
Exact Mass527.03
IUPAC Name6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum
SMILESN#Cc1cc(Oc2ccccn2)[c-]c(Oc2cccc(C(=O)O)n2)c1.[Pt]
InChIInChI=1S/C18H10N3O4.Pt/c19-11-12-8-13(24-16-5-1-2-7-20-16)10-14(9-12)25-17-6-3-4-15(21-17)18(22)23;/h1-9H,(H,22,23);/q-1;
InChIKeyOWIVFSRFPYRGKS-UHFFFAOYSA-N
XLogP3.43
TPSA105.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum?
The IUPAC name of 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum (CID 58709065) is 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum.
What is the SMILES notation for 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum?
The canonical SMILES for 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum is N#Cc1cc(Oc2ccccn2)[c-]c(Oc2cccc(C(=O)O)n2)c1.[Pt].
What is the InChIKey of 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum?
The InChIKey is OWIVFSRFPYRGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N3O4.Pt/c19-11-12-8-13(24-16-5-1-2-7-20-16)10-14(9-12)25-17-6-3-4-15(21-17)18(22)23;/h1-9H,(H,22,23);/q-1;.
What are the key properties of 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum?
6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum has a molecular weight of 527.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-5-pyridin-2-yloxybenzene-6-id-1-yl)oxypyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 58709065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).