2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine

C12H16F3NO2 — CID 23380555

IUPAC2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H16F3NO2/c1-8(2)17-4-5-18-11-7-10(12(13,14)15)6-9(3)16-11/h6-8H,4-5H2,1-3H3
InChIKeyHDFOBBFIJGEHSZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.21
Rot. Bonds5

About 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine

2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine (PubChem CID 23380555) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine
PubChem CID23380555
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)cc(OCCOC(C)C)n1
InChIInChI=1S/C12H16F3NO2/c1-8(2)17-4-5-18-11-7-10(12(13,14)15)6-9(3)16-11/h6-8H,4-5H2,1-3H3
InChIKeyHDFOBBFIJGEHSZ-UHFFFAOYSA-N
XLogP3.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1-Methoxybutan-2-yl)oxy]-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 9819482
2-(4-Fluoro-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912361
4-(Methoxymethyl)-6-methyl-2-phenoxypyridine-3-carbonitrile
CID 709284
2-(4-Fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 723818
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
Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785
(2-Methoxy-6-methylpyridin-4-yl)methanamine
CID 72216158
2-Methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 46739321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine (CID 23380555) is 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)cc(OCCOC(C)C)n1.
What is the InChIKey of 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is HDFOBBFIJGEHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8(2)17-4-5-18-11-7-10(12(13,14)15)6-9(3)16-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine?
2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 263.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-propan-2-yloxyethoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).