2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine

C44H60F3N5O3 — CID 160181531

IUPAC2-ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine
SMILESCCC1=CC=CC=N1.CCC1=C(C=CC=N1)C.CCC1=NC=CC(=C1C)OC.CCC1=NC=CC(=C1C)OCC(F)(F)F.CCC1=NC=C(C(=C1C)OC)C
InChIInChI=1S/C10H12F3NO.C10H15NO.C9H13NO.C8H11N.C7H9N/c1-3-8-7(2)9(4-5-14-8)15-6-10(11,12)13;1-5-9-8(3)10(12-4)7(2)6-11-9;1-4-8-7(2)9(11-3)5-6-10-8;1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h4-5H,3,6H2,1-2H3;6H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3;3-6H,2H2,1H3
InChIKeyPEIKOXPXZDFNPB-UHFFFAOYSA-N
MW764.00 g/mol
LogP—
Rot. Bonds9

About 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine

2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine (PubChem CID 160181531) has the molecular formula C44H60F3N5O3 and a molecular weight of 764.00 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine.

Molecular Properties

Compound Name2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine
PubChem CID160181531
Molecular FormulaC44H60F3N5O3
Molecular Weight764.00 g/mol
Exact Mass763.46
IUPAC Name2-ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine
SMILESCCC1=CC=CC=N1.CCC1=C(C=CC=N1)C.CCC1=NC=CC(=C1C)OC.CCC1=NC=CC(=C1C)OCC(F)(F)F.CCC1=NC=C(C(=C1C)OC)C
InChIInChI=1S/C10H12F3NO.C10H15NO.C9H13NO.C8H11N.C7H9N/c1-3-8-7(2)9(4-5-14-8)15-6-10(11,12)13;1-5-9-8(3)10(12-4)7(2)6-11-9;1-4-8-7(2)9(11-3)5-6-10-8;1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h4-5H,3,6H2,1-2H3;6H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3;3-6H,2H2,1H3
InChIKeyPEIKOXPXZDFNPB-UHFFFAOYSA-N
XLogP—
TPSA92.10 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms55
Complexity592

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine?
The IUPAC name of 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine (CID 160181531) is 2-ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine.
What is the SMILES notation for 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine?
The canonical SMILES for 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine is CCC1=CC=CC=N1.CCC1=C(C=CC=N1)C.CCC1=NC=CC(=C1C)OC.CCC1=NC=CC(=C1C)OCC(F)(F)F.CCC1=NC=C(C(=C1C)OC)C.
What is the InChIKey of 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine?
The InChIKey is PEIKOXPXZDFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO.C10H15NO.C9H13NO.C8H11N.C7H9N/c1-3-8-7(2)9(4-5-14-8)15-6-10(11,12)13;1-5-9-8(3)10(12-4)7(2)6-11-9;1-4-8-7(2)9(11-3)5-6-10-8;1-3-8-7(2)5-4-6-9-8;1-2-7-5-3-4-6-8-7/h4-5H,3,6H2,1-2H3;6H,5H2,1-4H3;5-6H,4H2,1-3H3;4-6H,3H2,1-2H3;3-6H,2H2,1H3.
What are the key properties of 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine?
2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine has a molecular weight of 764.00 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethyl-4-methoxy-3,5-dimethylpyridine;2-ethyl-4-methoxy-3-methylpyridine;2-ethyl-3-methylpyridine;2-ethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;2-ethylpyridine is sourced from PubChem (CID 160181531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).