methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate

C11H14N2O2 — CID 71918034

IUPACmethyl 3-pyrrolidin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCCC1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-9(5-4-6-12-10)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3
InChIKeyQRFIQJFEVUADSY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.47
Rot. Bonds2

About methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate

methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate (PubChem CID 71918034) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-1-ylpyridine-2-carboxylate
PubChem CID71918034
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 3-pyrrolidin-1-ylpyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N1CCCC1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-9(5-4-6-12-10)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3
InChIKeyQRFIQJFEVUADSY-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate?
The IUPAC name of methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate (CID 71918034) is methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate is COC(=O)c1ncccc1N1CCCC1.
What is the InChIKey of methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate?
The InChIKey is QRFIQJFEVUADSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-9(5-4-6-12-10)13-7-2-3-8-13/h4-6H,2-3,7-8H2,1H3.
What are the key properties of methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate?
methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 71918034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).