methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate

C12H12F3NO3 — CID 166454638

IUPACmethyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1C(=O)C(C)C
InChIInChI=1S/C12H12F3NO3/c1-6(2)10(17)9-7(11(18)19-3)4-5-8(16-9)12(13,14)15/h4-6H,1-3H3
InChIKeyPERSMPMMJZOYCI-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.73
Rot. Bonds3

About methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 166454638) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID166454638
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Namemethyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1C(=O)C(C)C
InChIInChI=1S/C12H12F3NO3/c1-6(2)10(17)9-7(11(18)19-3)4-5-8(16-9)12(13,14)15/h4-6H,1-3H3
InChIKeyPERSMPMMJZOYCI-UHFFFAOYSA-N
XLogP2.73
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
2-(2,2-difluoroacetyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 162732068
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894
methyl 3-pyridin-4-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 46317652
methyl 2-(dimethylcarbamothioyloxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 54373048
methyl 2-(1-isocyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 170542163
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452
methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523844
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 166454638) is methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1C(=O)C(C)C.
What is the InChIKey of methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is PERSMPMMJZOYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-6(2)10(17)9-7(11(18)19-3)4-5-8(16-9)12(13,14)15/h4-6H,1-3H3.
What are the key properties of methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 275.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 166454638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).