2,6-dimethylpyridine;trichloroborane

C7H9BCl3N — CID 72792978

IUPAC2,6-dimethylpyridine;trichloroborane
SMILESCc1cccc(C)n1.ClB(Cl)Cl
InChIInChI=1S/C7H9N.BCl3/c1-6-4-3-5-7(2)8-6;2-1(3)4/h3-5H,1-2H3;
InChIKeyFIYPUVVQZBZEJR-UHFFFAOYSA-N
MW224.33 g/mol
LogP3.39
Rot. Bonds

About 2,6-dimethylpyridine;trichloroborane

2,6-dimethylpyridine;trichloroborane (PubChem CID 72792978) has the molecular formula C7H9BCl3N and a molecular weight of 224.33 g/mol. Its IUPAC name is 2,6-dimethylpyridine;trichloroborane.

Molecular Properties

Compound Name2,6-dimethylpyridine;trichloroborane
PubChem CID72792978
Molecular FormulaC7H9BCl3N
Molecular Weight224.33 g/mol
Exact Mass222.99
IUPAC Name2,6-dimethylpyridine;trichloroborane
SMILESCc1cccc(C)n1.ClB(Cl)Cl
InChIInChI=1S/C7H9N.BCl3/c1-6-4-3-5-7(2)8-6;2-1(3)4/h3-5H,1-2H3;
InChIKeyFIYPUVVQZBZEJR-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpyridine;ethane
CID 54453947
2,6-dimethylpyridine;sulfane
CID 134564621
2,6-dimethylpyridine;tetrachlorotitanium
CID 166444625
2,10-dimethylazecine
CID 126659012
carbon monoxide;2,6-dimethylpyridine;tungsten
CID 520783
2-chloro-6-methylpyridine;hydrochloride
CID 22645126
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
bis(2,6-dimethylpyridine);palladium(2+);diacetate
CID 139114268
bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)
CID 122229876
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
lithium (6-methyl-2-pyridinyl)azanide
CID 15443376
(E)-bis(6-methyl-2-pyridinyl)diazene
CID 134860350

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;trichloroborane?
The IUPAC name of 2,6-dimethylpyridine;trichloroborane (CID 72792978) is 2,6-dimethylpyridine;trichloroborane.
What is the SMILES notation for 2,6-dimethylpyridine;trichloroborane?
The canonical SMILES for 2,6-dimethylpyridine;trichloroborane is Cc1cccc(C)n1.ClB(Cl)Cl.
What is the InChIKey of 2,6-dimethylpyridine;trichloroborane?
The InChIKey is FIYPUVVQZBZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.BCl3/c1-6-4-3-5-7(2)8-6;2-1(3)4/h3-5H,1-2H3;.
What are the key properties of 2,6-dimethylpyridine;trichloroborane?
2,6-dimethylpyridine;trichloroborane has a molecular weight of 224.33 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;trichloroborane is sourced from PubChem (CID 72792978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).