CID 139154611

C14H15N3O7Ru — CID 139154611

IUPAC—
SMILESCO.C[O-].O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[N]=O.[Ru+3]
InChIInChI=1S/2C6H5NO2.CH4O.CH3O.NO.Ru/c2*8-6(9)5-3-1-2-4-7-5;3*1-2;/h2*1-4H,(H,8,9);2H,1H3;1H3;;/q;;;-1;;+3/p-2
InChIKeyQGICOLMEPMBHBK-UHFFFAOYSA-L
MW438.36 g/mol
LogP-2.97
Rot. Bonds2

About CID 139154611

CID 139154611 (PubChem CID 139154611) has the molecular formula C14H15N3O7Ru and a molecular weight of 438.36 g/mol.

Molecular Properties

Compound NameCID 139154611
PubChem CID139154611
Molecular FormulaC14H15N3O7Ru
Molecular Weight438.36 g/mol
Exact Mass439.00
IUPAC Name—
SMILESCO.C[O-].O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[N]=O.[Ru+3]
InChIInChI=1S/2C6H5NO2.CH4O.CH3O.NO.Ru/c2*8-6(9)5-3-1-2-4-7-5;3*1-2;/h2*1-4H,(H,8,9);2H,1H3;1H3;;/q;;;-1;;+3/p-2
InChIKeyQGICOLMEPMBHBK-UHFFFAOYSA-L
XLogP-2.97
TPSA188.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 5-2.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 139154611?
The IUPAC name of CID 139154611 (CID 139154611) is not available.
What is the SMILES notation for CID 139154611?
The canonical SMILES for CID 139154611 is CO.C[O-].O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[N]=O.[Ru+3].
What is the InChIKey of CID 139154611?
The InChIKey is QGICOLMEPMBHBK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.CH4O.CH3O.NO.Ru/c2*8-6(9)5-3-1-2-4-7-5;3*1-2;/h2*1-4H,(H,8,9);2H,1H3;1H3;;/q;;;-1;;+3/p-2.
What are the key properties of CID 139154611?
CID 139154611 has a molecular weight of 438.36 g/mol, XLogP of -2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139154611 is sourced from PubChem (CID 139154611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).