CID 101438505

C30H23N2O4Sb-2 — CID 101438505

IUPAC—
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Sb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-3-1-2-4-7-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/p-2
InChIKeyZOLRUYHSULDIOY-UHFFFAOYSA-L
MW597.28 g/mol
LogP2.97
Rot. Bonds2

About CID 101438505

CID 101438505 (PubChem CID 101438505) has the molecular formula C30H23N2O4Sb-2 and a molecular weight of 597.28 g/mol.

Molecular Properties

Compound NameCID 101438505
PubChem CID101438505
Molecular FormulaC30H23N2O4Sb-2
Molecular Weight597.28 g/mol
Exact Mass596.07
IUPAC Name—
SMILESO=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Sb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-3-1-2-4-7-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/p-2
InChIKeyZOLRUYHSULDIOY-UHFFFAOYSA-L
XLogP2.97
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

europium(3+);pyridine-2-carboxylate
CID 172810679
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CID 67178639
gadolinium;pyridine-2-carboxylic acid
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pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
carbon monoxide;pyridine-2-carboxylate;ruthenium(2+);toluene;bis(triphenylphosphane);chloride
CID 139183207
diphenylphosphanylmethyl(diphenyl)phosphane;pyridine-2-carboxylate;ruthenium(2+);hexafluorophosphate
CID 46847968
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763

Frequently Asked Questions

What is the IUPAC name of CID 101438505?
The IUPAC name of CID 101438505 (CID 101438505) is not available.
What is the SMILES notation for CID 101438505?
The canonical SMILES for CID 101438505 is O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Sb].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.
What is the InChIKey of CID 101438505?
The InChIKey is ZOLRUYHSULDIOY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO2.3C6H5.Sb/c2*8-6(9)5-3-1-2-4-7-5;3*1-2-4-6-5-3-1;/h2*1-4H,(H,8,9);3*1-5H;/p-2.
What are the key properties of CID 101438505?
CID 101438505 has a molecular weight of 597.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101438505 is sourced from PubChem (CID 101438505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).