methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate

C12H13F3N2O2 — CID 131871266

IUPACmethyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1[C@H]1CCCN1
InChIInChI=1S/C12H13F3N2O2/c1-19-11(18)7-4-5-9(12(13,14)15)17-10(7)8-3-2-6-16-8/h4-5,8,16H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyHMDWXLUITIXMAM-MRVPVSSYSA-N
MW274.24 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 131871266) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID131871266
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Namemethyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1[C@H]1CCCN1
InChIInChI=1S/C12H13F3N2O2/c1-19-11(18)7-4-5-9(12(13,14)15)17-10(7)8-3-2-6-16-8/h4-5,8,16H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyHMDWXLUITIXMAM-MRVPVSSYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
ethyl 1-[2-(sec-butylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 5061398
Ethyl 5-hydroxy-2-(trifluoromethyl)[1,6]naphthyridine-3-carboxylate
CID 5714513
Ethyl 2-methyl-6-[3-(trifluoromethyl)phenyl]nicotinate
CID 4562751
Methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride
CID 23640921
Ethyl 6-(heptafluoropropyl)pyridine-3-carboxylate
CID 125473083
methyl 2-oxo-1H,2H,3H-pyrrolo(3,2-b)pyridine-6-carboxylate
CID 57415905
Methyl 6-tert-butyl-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylate
CID 101985114
Methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride
CID 71758500
Methyl 3-(aminomethyl)-5,6,7,8-tetrahydroindolizine-1-carboxylate hydrochloride
CID 132353763
methyl 6-methyl-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 166000695
Methyl 6-(aminomethyl)-2-methylpyridine-3-carboxylate hydrochloride
CID 178200077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate (CID 131871266) is methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1[C@H]1CCCN1.
What is the InChIKey of methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HMDWXLUITIXMAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-19-11(18)7-4-5-9(12(13,14)15)17-10(7)8-3-2-6-16-8/h4-5,8,16H,2-3,6H2,1H3/t8-/m1/s1.
What are the key properties of methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 274.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 131871266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).