2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine

C12H16F3NO3 — CID 23380548

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine
SMILESCOCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C12H16F3NO3/c1-9-7-10(12(13,14)15)8-11(16-9)19-6-5-18-4-3-17-2/h7-8H,3-6H2,1-2H3
InChIKeyUCYIKDHMZXMPMH-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine

2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine (PubChem CID 23380548) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine
PubChem CID23380548
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine
SMILESCOCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C12H16F3NO3/c1-9-7-10(12(13,14)15)8-11(16-9)19-6-5-18-4-3-17-2/h7-8H,3-6H2,1-2H3
InChIKeyUCYIKDHMZXMPMH-UHFFFAOYSA-N
XLogP2.45
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
2-Methoxy-4,6-dimethylnicotinonitrile
CID 595276
2-(4-Fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 723818
2-(4-Fluorophenyl)-6-methoxypyridine
CID 46312984
Ethyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy}acetate
CID 2728462
2-Methyl-6-phenylmethoxypyridine
CID 261829
5-Ethyl-4,6-dimethyl-2-methoxy pyridine
CID 6430781
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine (CID 23380548) is 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine is COCCOCCOc1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is UCYIKDHMZXMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-9-7-10(12(13,14)15)8-11(16-9)19-6-5-18-4-3-17-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine?
2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 279.26 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-6-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).