methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate

C11H12F3NO2 — CID 166584183

IUPACmethyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6(2)8-5-4-7(11(12,13)14)9(15-8)10(16)17-3/h4-6H,1-3H3
InChIKeyJUWZKBIDDBTIPY-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.01
Rot. Bonds2

About methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate

methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 166584183) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID166584183
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Namemethyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6(2)8-5-4-7(11(12,13)14)9(15-8)10(16)17-3/h4-6H,1-3H3
InChIKeyJUWZKBIDDBTIPY-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-propan-2-yl-3-(trifluoromethyl)pyridine
CID 130474419
methyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134684128
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
1-(3-tert-butyl-6-propan-2-yl-2-pyridinyl)ethanone;ethane
CID 160925483
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166454638
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 135392315

Frequently Asked Questions

What is the IUPAC name of methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate (CID 166584183) is methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(C(C)C)ccc1C(F)(F)F.
What is the InChIKey of methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is JUWZKBIDDBTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6(2)8-5-4-7(11(12,13)14)9(15-8)10(16)17-3/h4-6H,1-3H3.
What are the key properties of methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate?
methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 247.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 166584183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).