2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine

C15H14F3NO — CID 90945069

IUPAC2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C15H14F3NO/c1-10-7-11(3-4-12(10)9-20-2)14-6-5-13(8-19-14)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyFYCOOJYQQAZKFN-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.22
Rot. Bonds3

About 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine

2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine (PubChem CID 90945069) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine
PubChem CID90945069
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine
SMILESCOCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C15H14F3NO/c1-10-7-11(3-4-12(10)9-20-2)14-6-5-13(8-19-14)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyFYCOOJYQQAZKFN-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Doxylamine
CID 3162
2-Pyridinealdoxime O-benzyl ether
CID 9562669
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164
2-(Benzyloxyiminomethyl)pyridine
CID 98778
[2-Methyl-3-(pyridin-3-yl)phenyl]methanol
CID 13243427
R-Doxylamine
CID 6852255
2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
Pyridine, 3-(((2'-fluoro(1,1'-biphenyl)-4-yl)methoxy)methyl)-, hydrochloride
CID 3066120
(4-(Pyridin-2-yl)phenyl)methanol
CID 1515239
Doxylamine D5
CID 46781433
Pytamine
CID 3052768
(4-(Pyridin-3-yl)phenyl)methanol
CID 1515243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine (CID 90945069) is 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine is COCc1ccc(-c2ccc(C(F)(F)F)cn2)cc1C.
What is the InChIKey of 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is FYCOOJYQQAZKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-7-11(3-4-12(10)9-20-2)14-6-5-13(8-19-14)15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine?
2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 281.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-3-methylphenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 90945069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).