bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane

C101H142N14O4S2 — CID 158419435

IUPACbis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane
SMILESC.CCC.CCOc1ccccn1.CCOc1cccnc1.CCOc1ccncc1.CCSc1ccccn1.CCSc1ccncc1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1cccc(C)n1.CCc1cccc(C)n1.CCc1ncccc1C.CNC=O.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccccn1
InChIInChI=1S/5C8H11N.3C7H9NO.2C7H9NS.2C7H9N.C6H7N.C3H8.C2H5NO.CH4/c1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;2*1-3-8-6-4-5-7(2)9-8;1-2-9-7-3-5-8-6-4-7;1-2-9-7-4-3-5-8-6-7;1-2-9-7-5-3-4-6-8-7;1-2-9-7-3-5-8-6-4-7;1-2-9-7-5-3-4-6-8-7;2*1-6-3-4-7(2)8-5-6;1-6-4-2-3-5-7-6;1-3-2;1-3-2-4;/h5*4-6H,3H2,1-2H3;5*3-6H,2H2,1H3;2*3-5H,1-2H3;2-5H,1H3;3H2,1-2H3;2H,1H3,(H,3,4);1H4
InChIKeyHAHROZQEJYDMFS-UHFFFAOYSA-N
MW1680.47 g/mol
LogP24.79
Rot. Bonds16

About bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane

bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane (PubChem CID 158419435) has the molecular formula C101H142N14O4S2 and a molecular weight of 1680.47 g/mol. Its IUPAC name is bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane.

Molecular Properties

Compound Namebis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane
PubChem CID158419435
Molecular FormulaC101H142N14O4S2
Molecular Weight1680.47 g/mol
Exact Mass1679.08
IUPAC Namebis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane
SMILESC.CCC.CCOc1ccccn1.CCOc1cccnc1.CCOc1ccncc1.CCSc1ccccn1.CCSc1ccncc1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1cccc(C)n1.CCc1cccc(C)n1.CCc1ncccc1C.CNC=O.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccccn1
InChIInChI=1S/5C8H11N.3C7H9NO.2C7H9NS.2C7H9N.C6H7N.C3H8.C2H5NO.CH4/c1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;2*1-3-8-6-4-5-7(2)9-8;1-2-9-7-3-5-8-6-4-7;1-2-9-7-4-3-5-8-6-7;1-2-9-7-5-3-4-6-8-7;1-2-9-7-3-5-8-6-4-7;1-2-9-7-5-3-4-6-8-7;2*1-6-3-4-7(2)8-5-6;1-6-4-2-3-5-7-6;1-3-2;1-3-2-4;/h5*4-6H,3H2,1-2H3;5*3-6H,2H2,1H3;2*3-5H,1-2H3;2-5H,1H3;3H2,1-2H3;2H,1H3,(H,3,4);1H4
InChIKeyHAHROZQEJYDMFS-UHFFFAOYSA-N
XLogP24.79
TPSA224.36 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001680.47
LogP ≤ 524.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane with MolForge

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Related Compounds

Bis(5-chloro-2-methylpyridine);2,3-dimethylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;2-methylpyridine;bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 157557260
Bis(5-chloro-2-methylpyridine);bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);5-ethyl-2-methylpyridine;2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;2-methyl-5-propan-2-ylpyridine;bis(2-methylpyridine);bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 157656542
Bis(5-chloro-2-methylpyridine);2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;2-methylpyridine;bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 158289342
Bis(5-chloro-2-methylpyridine);2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;2-methylpyridine;bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 158845230
Bis(5-chloro-2-methylpyridine);2,3-dimethylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;2-methylpyridine;bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 160117502
Bis(5-chloro-2-methylpyridine);2,3-dimethylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;2-methylpyridine;bis(2-methyl-5-(trifluoromethyl)pyridine)
CID 160854101
4-Pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine
CID 141152601
Tert-butylsulfanylbenzene;2-tert-butylsulfanyl-3-methylpyridine;2-tert-butylsulfanylpyridine;3-tert-butylsulfanylpyridine;(2-methylpropan-2-yl)oxybenzene;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine
CID 157564574
4-[(Z)-1-[6-[2-(methylamino)ethylsulfanyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[1-[6-[3-(methylamino)propyl]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-1-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-phenylbut-1-enyl]phenol;4-[(Z)-2-phenyl-1-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]but-1-enyl]phenol
CID 157737401
2-Tert-butylsulfanyl-3-methylpyridine;2-tert-butylsulfanylpyridine;3-tert-butylsulfanylpyridine;4-tert-butylsulfanylpyridine;2-[(2-methylpropan-2-yl)oxy]pyridine;3-[(2-methylpropan-2-yl)oxy]pyridine;4-[(2-methylpropan-2-yl)oxy]pyridine
CID 157827832
bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;methoxyethane;methoxymethane;N-methylformamide;2-methylpyridine
CID 158424737
2-tert-butyl-5-pentoxypyridine;N-[(2S)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[(2R)-2-[(4-tert-butyl-2-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;N-[3-[(6-tert-butyl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-4-propoxypiperidine;1-(2,2-dimethylpropoxy)-4-propylsulfonylbenzene;tris(2-methylpropane)
CID 159539482

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane?
The IUPAC name of bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane (CID 158419435) is bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane.
What is the SMILES notation for bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane?
The canonical SMILES for bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane is C.CCC.CCOc1ccccn1.CCOc1cccnc1.CCOc1ccncc1.CCSc1ccccn1.CCSc1ccncc1.CCc1cc(C)ccn1.CCc1ccc(C)cn1.CCc1cccc(C)n1.CCc1cccc(C)n1.CCc1ncccc1C.CNC=O.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccccn1.
What is the InChIKey of bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane?
The InChIKey is HAHROZQEJYDMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H11N.3C7H9NO.2C7H9NS.2C7H9N.C6H7N.C3H8.C2H5NO.CH4/c1-3-8-6-7(2)4-5-9-8;1-3-8-5-4-7(2)6-9-8;1-3-8-7(2)5-4-6-9-8;2*1-3-8-6-4-5-7(2)9-8;1-2-9-7-3-5-8-6-4-7;1-2-9-7-4-3-5-8-6-7;1-2-9-7-5-3-4-6-8-7;1-2-9-7-3-5-8-6-4-7;1-2-9-7-5-3-4-6-8-7;2*1-6-3-4-7(2)8-5-6;1-6-4-2-3-5-7-6;1-3-2;1-3-2-4;/h5*4-6H,3H2,1-2H3;5*3-6H,2H2,1H3;2*3-5H,1-2H3;2-5H,1H3;3H2,1-2H3;2H,1H3,(H,3,4);1H4.
What are the key properties of bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane?
bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane has a molecular weight of 1680.47 g/mol, XLogP of 24.79, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylpyridine);2-ethoxypyridine;3-ethoxypyridine;4-ethoxypyridine;2-ethyl-3-methylpyridine;2-ethyl-4-methylpyridine;2-ethyl-5-methylpyridine;bis(2-ethyl-6-methylpyridine);2-ethylsulfanylpyridine;4-ethylsulfanylpyridine;methane;N-methylformamide;2-methylpyridine;propane is sourced from PubChem (CID 158419435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).