methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate

C11H14N2O2 — CID 131277103

IUPACmethyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1[C@H]1CCCN1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-6-12-7-9(8)10-3-2-5-13-10/h4,6-7,10,13H,2-3,5H2,1H3/t10-/m1/s1
InChIKeyRFIKJVIKBAGVLB-SNVBAGLBSA-N
MW206.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate

methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate (PubChem CID 131277103) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate
PubChem CID131277103
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1[C@H]1CCCN1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)8-4-6-12-7-9(8)10-3-2-5-13-10/h4,6-7,10,13H,2-3,5H2,1H3/t10-/m1/s1
InChIKeyRFIKJVIKBAGVLB-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-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
methyl 4-methyl-3-pyrrolidin-2-ylbenzoate
CID 57440534
methyl 5-[(2R)-pyrrolidin-2-yl]pyridine-3-carboxylate
CID 131276889
methyl 2-[(2S)-azetidin-2-yl]benzoate;hydrochloride
CID 171196927
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62347787
4-pyrrolidin-2-ylpyridine-3-carbonitrile
CID 82411637
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate (CID 131277103) is methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate is COC(=O)c1ccncc1[C@H]1CCCN1.
What is the InChIKey of methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate?
The InChIKey is RFIKJVIKBAGVLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)8-4-6-12-7-9(8)10-3-2-5-13-10/h4,6-7,10,13H,2-3,5H2,1H3/t10-/m1/s1.
What are the key properties of methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate?
methyl 3-[(2R)-pyrrolidin-2-yl]pyridine-4-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 3-[(2R)-pyrrolidin-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 131277103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).