pyridine;1,2,3-trimethylbenzene;hydrochloride

C14H18ClN — CID 174567082

IUPACpyridine;1,2,3-trimethylbenzene;hydrochloride
SMILESCc1cccc(C)c1C.Cl.c1ccncc1
InChIInChI=1S/C9H12.C5H5N.ClH/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1;/h4-6H,1-3H3;1-5H;1H
InChIKeyMLEDKMGIVITPJI-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.12
Rot. Bonds

About pyridine;1,2,3-trimethylbenzene;hydrochloride

pyridine;1,2,3-trimethylbenzene;hydrochloride (PubChem CID 174567082) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is pyridine;1,2,3-trimethylbenzene;hydrochloride.

Molecular Properties

Compound Namepyridine;1,2,3-trimethylbenzene;hydrochloride
PubChem CID174567082
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Namepyridine;1,2,3-trimethylbenzene;hydrochloride
SMILESCc1cccc(C)c1C.Cl.c1ccncc1
InChIInChI=1S/C9H12.C5H5N.ClH/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1;/h4-6H,1-3H3;1-5H;1H
InChIKeyMLEDKMGIVITPJI-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylphenol;pyridine
CID 174895721
benzene;1,2,3-trimethylbenzene
CID 159605245
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
ethane;1,2,3-trimethylbenzene
CID 54068667
iron(2+);bis(2-methylphenolate);tris(pyridine)
CID 139135842
bis(pyridine);hydrochloride
CID 68793121
bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
ethane;bis(pyridine);toluene
CID 90934596
CID 158771244
CID 158771244
pyridine;zirconium;hydrochloride
CID 175285964

Frequently Asked Questions

What is the IUPAC name of pyridine;1,2,3-trimethylbenzene;hydrochloride?
The IUPAC name of pyridine;1,2,3-trimethylbenzene;hydrochloride (CID 174567082) is pyridine;1,2,3-trimethylbenzene;hydrochloride.
What is the SMILES notation for pyridine;1,2,3-trimethylbenzene;hydrochloride?
The canonical SMILES for pyridine;1,2,3-trimethylbenzene;hydrochloride is Cc1cccc(C)c1C.Cl.c1ccncc1.
What is the InChIKey of pyridine;1,2,3-trimethylbenzene;hydrochloride?
The InChIKey is MLEDKMGIVITPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C5H5N.ClH/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1;/h4-6H,1-3H3;1-5H;1H.
What are the key properties of pyridine;1,2,3-trimethylbenzene;hydrochloride?
pyridine;1,2,3-trimethylbenzene;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1,2,3-trimethylbenzene;hydrochloride is sourced from PubChem (CID 174567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).