carbon monoxide;molybdenum;tris(pyridine)

C18H15MoN3O3 — CID 10949780

IUPACcarbon monoxide;molybdenum;tris(pyridine)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.3CO.Mo/c3*1-2-4-6-5-3-1;3*1-2;/h3*1-5H;;;;
InChIKeyPGRLSLMUUAVBRL-UHFFFAOYSA-N
MW417.28 g/mol
LogP3.13
Rot. Bonds

About carbon monoxide;molybdenum;tris(pyridine)

carbon monoxide;molybdenum;tris(pyridine) (PubChem CID 10949780) has the molecular formula C18H15MoN3O3 and a molecular weight of 417.28 g/mol. Its IUPAC name is carbon monoxide;molybdenum;tris(pyridine).

Molecular Properties

Compound Namecarbon monoxide;molybdenum;tris(pyridine)
PubChem CID10949780
Molecular FormulaC18H15MoN3O3
Molecular Weight417.28 g/mol
Exact Mass419.02
IUPAC Namecarbon monoxide;molybdenum;tris(pyridine)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.3CO.Mo/c3*1-2-4-6-5-3-1;3*1-2;/h3*1-5H;;;;
InChIKeyPGRLSLMUUAVBRL-UHFFFAOYSA-N
XLogP3.13
TPSA98.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbon monoxide;molybdenum;tris(pyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
Dipyridinium dichromate
CID 159879
2,2':6',2''-Terpyridine
CID 70848
1,10-Bis(pyridinium)-decane dibromide
CID 201563
2-Pyridyldiphenylphosphine
CID 621893
1,2-Di(2-pyridyl)ethylene
CID 5374802
Pyridine, 4,4'-(1E)-1,2-ethenediylbis-
CID 776222
Pyridine-2-carbaldehyde (2-pyridylmethylene)hydrazone
CID 6861553
2-[Phenyl(pyridin-2-yl)phosphanyl]pyridine
CID 603962
1,10-Di(1-pyridiniumyl)decane; diiodide
CID 201564
Pyridinium, 1,1'-(1,12-dodecanediyl)bis-
CID 11202567
1,11-Di(1-Pyridiniumyl)Undecane With Dibromide Ions
CID 11351920

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;tris(pyridine)?
The IUPAC name of carbon monoxide;molybdenum;tris(pyridine) (CID 10949780) is carbon monoxide;molybdenum;tris(pyridine).
What is the SMILES notation for carbon monoxide;molybdenum;tris(pyridine)?
The canonical SMILES for carbon monoxide;molybdenum;tris(pyridine) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of carbon monoxide;molybdenum;tris(pyridine)?
The InChIKey is PGRLSLMUUAVBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5N.3CO.Mo/c3*1-2-4-6-5-3-1;3*1-2;/h3*1-5H;;;;.
What are the key properties of carbon monoxide;molybdenum;tris(pyridine)?
carbon monoxide;molybdenum;tris(pyridine) has a molecular weight of 417.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;tris(pyridine) is sourced from PubChem (CID 10949780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).