2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene

C32H41N — CID 143940909

IUPAC2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene
SMILESCc1cc(C)cc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C
InChIInChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-8(2)6-9(3)5-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-4-3-5-7(2)8-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyXXOUTBSFMHPNNC-UHFFFAOYSA-N
MW439.69 g/mol
LogP8.92
Rot. Bonds

About 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene

2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene (PubChem CID 143940909) has the molecular formula C32H41N and a molecular weight of 439.69 g/mol. Its IUPAC name is 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Name2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene
PubChem CID143940909
Molecular FormulaC32H41N
Molecular Weight439.69 g/mol
Exact Mass439.32
IUPAC Name2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene
SMILESCc1cc(C)cc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C
InChIInChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-8(2)6-9(3)5-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-4-3-5-7(2)8-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyXXOUTBSFMHPNNC-UHFFFAOYSA-N
XLogP8.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.69
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene?
The IUPAC name of 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene (CID 143940909) is 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene.
What is the SMILES notation for 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene?
The canonical SMILES for 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene is Cc1cc(C)cc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1ccccc1C.
What is the InChIKey of 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene?
The InChIKey is XXOUTBSFMHPNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-8(2)6-9(3)5-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-4-3-5-7(2)8-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene?
2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene has a molecular weight of 439.69 g/mol, XLogP of 8.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene is sourced from PubChem (CID 143940909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).