2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine

C54H67N5S — CID 157467777

IUPAC2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine
SMILESC.C.C.C.Cc1cc(-c2ccccc2)c(C)c(C)n1.Cc1nccc(-c2ccccc2)c1C.Cc1nccc(-c2cccnc2)c1C.Cc1nccc(-c2ccsc2)c1C
InChIInChI=1S/C14H15N.C13H13N.C12H12N2.C11H11NS.4CH4/c1-10-9-14(11(2)12(3)15-10)13-7-5-4-6-8-13;1-10-11(2)14-9-8-13(10)12-6-4-3-5-7-12;1-9-10(2)14-7-5-12(9)11-4-3-6-13-8-11;1-8-9(2)12-5-3-11(8)10-4-6-13-7-10;;;;/h4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*1H4
InChIKeyBURINZQOCRVJPP-UHFFFAOYSA-N
MW818.23 g/mol
LogP15.77
Rot. Bonds4

About 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine

2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine (PubChem CID 157467777) has the molecular formula C54H67N5S and a molecular weight of 818.23 g/mol. Its IUPAC name is 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine.

Molecular Properties

Compound Name2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine
PubChem CID157467777
Molecular FormulaC54H67N5S
Molecular Weight818.23 g/mol
Exact Mass817.51
IUPAC Name2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine
SMILESC.C.C.C.Cc1cc(-c2ccccc2)c(C)c(C)n1.Cc1nccc(-c2ccccc2)c1C.Cc1nccc(-c2cccnc2)c1C.Cc1nccc(-c2ccsc2)c1C
InChIInChI=1S/C14H15N.C13H13N.C12H12N2.C11H11NS.4CH4/c1-10-9-14(11(2)12(3)15-10)13-7-5-4-6-8-13;1-10-11(2)14-9-8-13(10)12-6-4-3-5-7-12;1-9-10(2)14-7-5-12(9)11-4-3-6-13-8-11;1-8-9(2)12-5-3-11(8)10-4-6-13-7-10;;;;/h4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*1H4
InChIKeyBURINZQOCRVJPP-UHFFFAOYSA-N
XLogP15.77
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.23
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine with MolForge

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Related Compounds

4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
N-methyl-N-[2-phenyl-4-[4-(3-phenylpropyl)-1-piperidyl]butyl]-5-(2-pyridyl)thiophene-2-sulfonamide
CID 489308
2-Methyl-6-[(5-thien-2-ylpyridin-3-yl)ethynyl]pyridine
CID 44392452
3-(4-Pyridin-3-ylthiophen-2-yl)pyridine
CID 46316704
1-methyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]pyridin-1-ium iodide
CID 46906798
2,6-Dipyridin-2-yl-4-thiophen-2-ylpyridine
CID 850136
2-Pyridin-4-yl-4,6-dithiophen-2-ylpyridine
CID 16750521
2-Pyridin-2-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423804
2-Pyridin-4-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423805
4-Pyridin-3-yl-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423808
2,4-Dipyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423809
2-Pyridin-4-yl-4-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 44423832

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine?
The IUPAC name of 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine (CID 157467777) is 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine.
What is the SMILES notation for 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine?
The canonical SMILES for 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine is C.C.C.C.Cc1cc(-c2ccccc2)c(C)c(C)n1.Cc1nccc(-c2ccccc2)c1C.Cc1nccc(-c2cccnc2)c1C.Cc1nccc(-c2ccsc2)c1C.
What is the InChIKey of 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine?
The InChIKey is BURINZQOCRVJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C13H13N.C12H12N2.C11H11NS.4CH4/c1-10-9-14(11(2)12(3)15-10)13-7-5-4-6-8-13;1-10-11(2)14-9-8-13(10)12-6-4-3-5-7-12;1-9-10(2)14-7-5-12(9)11-4-3-6-13-8-11;1-8-9(2)12-5-3-11(8)10-4-6-13-7-10;;;;/h4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*1H4.
What are the key properties of 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine?
2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine has a molecular weight of 818.23 g/mol, XLogP of 15.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-phenylpyridine;2,3-dimethyl-4-pyridin-3-ylpyridine;2,3-dimethyl-4-thiophen-3-ylpyridine;methane;2,3,6-trimethyl-4-phenylpyridine is sourced from PubChem (CID 157467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).