2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine

C42H54N6 — CID 135084596

IUPAC2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine
SMILESCc1ccc(C)nc1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1
InChIInChI=1S/6C7H9N/c1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h6*3-5H,1-2H3
InChIKeyFZFMLIXIPXHUHF-UHFFFAOYSA-N
MW642.94 g/mol
LogP10.19
Rot. Bonds

About 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine

2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine (PubChem CID 135084596) has the molecular formula C42H54N6 and a molecular weight of 642.94 g/mol. Its IUPAC name is 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine.

Molecular Properties

Compound Name2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine
PubChem CID135084596
Molecular FormulaC42H54N6
Molecular Weight642.94 g/mol
Exact Mass642.44
IUPAC Name2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine
SMILESCc1ccc(C)nc1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1
InChIInChI=1S/6C7H9N/c1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h6*3-5H,1-2H3
InChIKeyFZFMLIXIPXHUHF-UHFFFAOYSA-N
XLogP10.19
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.94
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine with MolForge

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
Anabasamine
CID 161313
Anabasamine hydrochloride
CID 438950
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
2,5-Dipyridin-2-ylpyridine
CID 4580671
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
Viscosamine
CID 56935788

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine?
The IUPAC name of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine (CID 135084596) is 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine.
What is the SMILES notation for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine?
The canonical SMILES for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine is Cc1ccc(C)nc1.Cc1cccc(C)n1.Cc1cccnc1C.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cncc(C)c1.
What is the InChIKey of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine?
The InChIKey is FZFMLIXIPXHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H9N/c1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(2)8-6/h6*3-5H,1-2H3.
What are the key properties of 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine?
2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine has a molecular weight of 642.94 g/mol, XLogP of 10.19, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine is sourced from PubChem (CID 135084596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).