2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone

C32H40N2O3 — CID 157202474

IUPAC2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
SMILESC.C.CCOC(=O)c1ccccc1.Cc1cccc(C)n1.Cc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13NO.C9H10O2.C7H9N.2CH4/c1-11-6-5-9-13(15-11)10-14(16)12-7-3-2-4-8-12;1-2-11-9(10)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;;/h2-9H,10H2,1H3;3-7H,2H2,1H3;3-5H,1-2H3;2*1H4
InChIKeyAQYNTERGUHIIHF-UHFFFAOYSA-N
MW500.68 g/mol
LogP7.65
Rot. Bonds5

About 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone

2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone (PubChem CID 157202474) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone.

Molecular Properties

Compound Name2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
PubChem CID157202474
Molecular FormulaC32H40N2O3
Molecular Weight500.68 g/mol
Exact Mass500.30
IUPAC Name2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
SMILESC.C.CCOC(=O)c1ccccc1.Cc1cccc(C)n1.Cc1cccc(CC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13NO.C9H10O2.C7H9N.2CH4/c1-11-6-5-9-13(15-11)10-14(16)12-7-3-2-4-8-12;1-2-11-9(10)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;;/h2-9H,10H2,1H3;3-7H,2H2,1H3;3-5H,1-2H3;2*1H4
InChIKeyAQYNTERGUHIIHF-UHFFFAOYSA-N
XLogP7.65
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone with MolForge

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Related Compounds

1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
CID 158970570
CID 158970570
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
1-phenyl-2-(6-propan-2-yloxy-2-pyridinyl)ethanone
CID 15783757
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
CID 131847838
CID 131847838
ethyl benzoate;phthalic acid
CID 159584831
ethyl benzoate;sulfuryl dichloride
CID 159512060
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone?
The IUPAC name of 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone (CID 157202474) is 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone.
What is the SMILES notation for 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone?
The canonical SMILES for 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone is C.C.CCOC(=O)c1ccccc1.Cc1cccc(C)n1.Cc1cccc(CC(=O)c2ccccc2)n1.
What is the InChIKey of 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone?
The InChIKey is AQYNTERGUHIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C9H10O2.C7H9N.2CH4/c1-11-6-5-9-13(15-11)10-14(16)12-7-3-2-4-8-12;1-2-11-9(10)8-6-4-3-5-7-8;1-6-4-3-5-7(2)8-6;;/h2-9H,10H2,1H3;3-7H,2H2,1H3;3-5H,1-2H3;2*1H4.
What are the key properties of 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone?
2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone has a molecular weight of 500.68 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone is sourced from PubChem (CID 157202474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).