lithium;2,6-dimethylpyridine;oxolane;bromide

C11H17BrLiNO — CID 131729445

IUPAClithium;2,6-dimethylpyridine;oxolane;bromide
SMILESC1CCOC1.Cc1cccc(C)n1.[Br-].[Li+]
InChIInChI=1S/C7H9N.C4H8O.BrH.Li/c1-6-4-3-5-7(2)8-6;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q;;;+1/p-1
InChIKeyATFSUHGGBOKVNK-UHFFFAOYSA-M
MW266.11 g/mol
LogP-3.50
Rot. Bonds

About lithium;2,6-dimethylpyridine;oxolane;bromide

lithium;2,6-dimethylpyridine;oxolane;bromide (PubChem CID 131729445) has the molecular formula C11H17BrLiNO and a molecular weight of 266.11 g/mol. Its IUPAC name is lithium;2,6-dimethylpyridine;oxolane;bromide.

Molecular Properties

Compound Namelithium;2,6-dimethylpyridine;oxolane;bromide
PubChem CID131729445
Molecular FormulaC11H17BrLiNO
Molecular Weight266.11 g/mol
Exact Mass265.07
IUPAC Namelithium;2,6-dimethylpyridine;oxolane;bromide
SMILESC1CCOC1.Cc1cccc(C)n1.[Br-].[Li+]
InChIInChI=1S/C7H9N.C4H8O.BrH.Li/c1-6-4-3-5-7(2)8-6;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q;;;+1/p-1
InChIKeyATFSUHGGBOKVNK-UHFFFAOYSA-M
XLogP-3.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium;2,6-dimethylpyridine;oxolane;bromide?
The IUPAC name of lithium;2,6-dimethylpyridine;oxolane;bromide (CID 131729445) is lithium;2,6-dimethylpyridine;oxolane;bromide.
What is the SMILES notation for lithium;2,6-dimethylpyridine;oxolane;bromide?
The canonical SMILES for lithium;2,6-dimethylpyridine;oxolane;bromide is C1CCOC1.Cc1cccc(C)n1.[Br-].[Li+].
What is the InChIKey of lithium;2,6-dimethylpyridine;oxolane;bromide?
The InChIKey is ATFSUHGGBOKVNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N.C4H8O.BrH.Li/c1-6-4-3-5-7(2)8-6;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q;;;+1/p-1.
What are the key properties of lithium;2,6-dimethylpyridine;oxolane;bromide?
lithium;2,6-dimethylpyridine;oxolane;bromide has a molecular weight of 266.11 g/mol, XLogP of -3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,6-dimethylpyridine;oxolane;bromide is sourced from PubChem (CID 131729445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).