2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene

C32H41N — CID 159876086

IUPAC2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cccc(C)c1
InChIInChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyNSXQYTBRFGERJJ-UHFFFAOYSA-N
MW439.69 g/mol
LogP8.92
Rot. Bonds

About 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene

2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 159876086) has the molecular formula C32H41N and a molecular weight of 439.69 g/mol. Its IUPAC name is 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
PubChem CID159876086
Molecular FormulaC32H41N
Molecular Weight439.69 g/mol
Exact Mass439.32
IUPAC Name2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cccc(C)c1
InChIInChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyNSXQYTBRFGERJJ-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

2,5,9-trimethylazecine
CID 144887910
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylpyridine;4,6-dimethylpyrimidine;ethane;2,4,6-trimethyl-1,3,5-triazine;1,2-xylene;1,3-xylene;1,4-xylene
CID 159823913
ethane;2,7,9-trimethylazecine
CID 145048152
1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161029481
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
CID 161195002
CID 161195002
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
1,2,4-trimethylbenzene;2,3,5-trimethylpyridine
CID 159863810
1,2,4-trimethylbenzene
CID 7247
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene
CID 156737910

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?
The IUPAC name of 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene (CID 159876086) is 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene is Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cccc(C)c1.
What is the InChIKey of 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?
The InChIKey is NSXQYTBRFGERJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H10.C7H9N/c1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-4-7(2)8-5-6/h4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?
2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-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 2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159876086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).