carbon monoxide;2,6-dimethylpyridine;tungsten

C12H9NO5W — CID 520783

IUPACcarbon monoxide;2,6-dimethylpyridine;tungsten
SMILESCc1cccc(C)n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C7H9N.5CO.W/c1-6-4-3-5-7(2)8-6;5*1-2;/h3-5H,1-2H3;;;;;;
InChIKeyKPPMZXMLXJIOEG-UHFFFAOYSA-N
MW431.05 g/mol
LogP1.51
Rot. Bonds

About carbon monoxide;2,6-dimethylpyridine;tungsten

carbon monoxide;2,6-dimethylpyridine;tungsten (PubChem CID 520783) has the molecular formula C12H9NO5W and a molecular weight of 431.05 g/mol. Its IUPAC name is carbon monoxide;2,6-dimethylpyridine;tungsten.

Molecular Properties

Compound Namecarbon monoxide;2,6-dimethylpyridine;tungsten
PubChem CID520783
Molecular FormulaC12H9NO5W
Molecular Weight431.05 g/mol
Exact Mass431.00
IUPAC Namecarbon monoxide;2,6-dimethylpyridine;tungsten
SMILESCc1cccc(C)n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C7H9N.5CO.W/c1-6-4-3-5-7(2)8-6;5*1-2;/h3-5H,1-2H3;;;;;;
InChIKeyKPPMZXMLXJIOEG-UHFFFAOYSA-N
XLogP1.51
TPSA112.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.05
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpyridine;ethane
CID 54453947
2,6-dimethylpyridine;sulfane
CID 134564621
2,10-dimethylazecine
CID 126659012
2,6-dimethylpyridine;trichloroborane
CID 72792978
2,6-dimethylpyridine;tetrachlorotitanium
CID 166444625
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
bis(2,6-dimethylpyridine);palladium(2+);diacetate
CID 139114268
6-methyl-N-methylsulfanylpyridin-2-amine
CID 129181799
lithium (6-methyl-2-pyridinyl)azanide
CID 15443376
2-chloro-6-methylpyridine;hydrochloride
CID 22645126
(E)-bis(6-methyl-2-pyridinyl)diazene
CID 134860350

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2,6-dimethylpyridine;tungsten?
The IUPAC name of carbon monoxide;2,6-dimethylpyridine;tungsten (CID 520783) is carbon monoxide;2,6-dimethylpyridine;tungsten.
What is the SMILES notation for carbon monoxide;2,6-dimethylpyridine;tungsten?
The canonical SMILES for carbon monoxide;2,6-dimethylpyridine;tungsten is Cc1cccc(C)n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;2,6-dimethylpyridine;tungsten?
The InChIKey is KPPMZXMLXJIOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.5CO.W/c1-6-4-3-5-7(2)8-6;5*1-2;/h3-5H,1-2H3;;;;;;.
What are the key properties of carbon monoxide;2,6-dimethylpyridine;tungsten?
carbon monoxide;2,6-dimethylpyridine;tungsten has a molecular weight of 431.05 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2,6-dimethylpyridine;tungsten is sourced from PubChem (CID 520783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).