2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine

C13H18F3NO2 — CID 23380550

IUPAC2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
SMILESCCCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C13H18F3NO2/c1-3-4-5-18-6-7-19-12-9-11(13(14,15)16)8-10(2)17-12/h8-9H,3-7H2,1-2H3
InChIKeyIBQQEPDJQRSAAW-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.60
Rot. Bonds7

About 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine

2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine (PubChem CID 23380550) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
PubChem CID23380550
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine
SMILESCCCCOCCOc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C13H18F3NO2/c1-3-4-5-18-6-7-19-12-9-11(13(14,15)16)8-10(2)17-12/h8-9H,3-7H2,1-2H3
InChIKeyIBQQEPDJQRSAAW-UHFFFAOYSA-N
XLogP3.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.60
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-(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-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine (CID 23380550) is 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine is CCCCOCCOc1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is IBQQEPDJQRSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-4-5-18-6-7-19-12-9-11(13(14,15)16)8-10(2)17-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine?
2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 277.29 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-6-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).