2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine

C12H16F3NO — CID 162563286

IUPAC2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
SMILESCCCC(C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3NO/c1-3-4-9(2)8-17-11-6-5-10(7-16-11)12(13,14)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyFBFZOJPAWXAMTR-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine

2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine (PubChem CID 162563286) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
PubChem CID162563286
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
SMILESCCCC(C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3NO/c1-3-4-9(2)8-17-11-6-5-10(7-16-11)12(13,14)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyFBFZOJPAWXAMTR-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
CID 142536166
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
2-(2-methylpentoxy)-5-(trifluoromethyl)aniline
CID 45075240
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
6-(2-methylpentoxy)pyridine-2,3-diamine
CID 103282925
2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
CID 894667
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 166826439
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748590

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine (CID 162563286) is 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine is CCCC(C)COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is FBFZOJPAWXAMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-4-9(2)8-17-11-6-5-10(7-16-11)12(13,14)15/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine?
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 247.26 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162563286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).