1,2,4-trimethylbenzene;2,3,5-trimethylpyridine

C17H23N — CID 159863810

IUPAC1,2,4-trimethylbenzene;2,3,5-trimethylpyridine
SMILESCc1ccc(C)c(C)c1.Cc1cnc(C)c(C)c1
InChIInChI=1S/C9H12.C8H11N/c1-7-4-5-8(2)9(3)6-7;1-6-4-7(2)8(3)9-5-6/h4-6H,1-3H3;4-5H,1-3H3
InChIKeyNRMDETNKYLLKFN-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.62
Rot. Bonds

About 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine

1,2,4-trimethylbenzene;2,3,5-trimethylpyridine (PubChem CID 159863810) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine.

Molecular Properties

Compound Name1,2,4-trimethylbenzene;2,3,5-trimethylpyridine
PubChem CID159863810
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1,2,4-trimethylbenzene;2,3,5-trimethylpyridine
SMILESCc1ccc(C)c(C)c1.Cc1cnc(C)c(C)c1
InChIInChI=1S/C9H12.C8H11N/c1-7-4-5-8(2)9(3)6-7;1-6-4-7(2)8(3)9-5-6/h4-6H,1-3H3;4-5H,1-3H3
InChIKeyNRMDETNKYLLKFN-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
1,2,4-trimethylbenzene
CID 7247
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
2,5-dimethylpyridine;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
CID 159876086
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
(3,4-dimethylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 113365534

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine?
The IUPAC name of 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine (CID 159863810) is 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine.
What is the SMILES notation for 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine?
The canonical SMILES for 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine is Cc1ccc(C)c(C)c1.Cc1cnc(C)c(C)c1.
What is the InChIKey of 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine?
The InChIKey is NRMDETNKYLLKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N/c1-7-4-5-8(2)9(3)6-7;1-6-4-7(2)8(3)9-5-6/h4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine?
1,2,4-trimethylbenzene;2,3,5-trimethylpyridine has a molecular weight of 241.38 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylbenzene;2,3,5-trimethylpyridine is sourced from PubChem (CID 159863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).