methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate

C11H14N2O2 — CID 131276889

IUPACmethyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc([C@H]2CCCN2)c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-5-8(6-12-7-9)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3/t10-/m1/s1
InChIKeyJJYLMMWLXRUHBY-SNVBAGLBSA-N
MW206.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate

methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate (PubChem CID 131276889) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
PubChem CID131276889
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc([C@H]2CCCN2)c1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)9-5-8(6-12-7-9)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3/t10-/m1/s1
InChIKeyJJYLMMWLXRUHBY-SNVBAGLBSA-N
XLogP1.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 5-(2-oxocycloheptyl)pyridine-3-carboxylate
CID 68923804
3-[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]prop-2-ynoic acid
CID 131871135
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate
CID 131277103

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate (CID 131276889) is methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate is COC(=O)c1cncc([C@H]2CCCN2)c1.
What is the InChIKey of methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate?
The InChIKey is JJYLMMWLXRUHBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)9-5-8(6-12-7-9)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3/t10-/m1/s1.
What are the key properties of methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate?
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 131276889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).