methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate

C12H16N2O2 — CID 15123266

IUPACmethyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-6-4-5-10(13-11)9-14-7-2-3-8-14/h4-6H,2-3,7-9H2,1H3
InChIKeyWRFKWNJUBLEWTL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds3

About methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate

methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate (PubChem CID 15123266) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate
PubChem CID15123266
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCC2)n1
InChIInChI=1S/C12H16N2O2/c1-16-12(15)11-6-4-5-10(13-11)9-14-7-2-3-8-14/h4-6H,2-3,7-9H2,1H3
InChIKeyWRFKWNJUBLEWTL-UHFFFAOYSA-N
XLogP1.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate (CID 15123266) is methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCCC2)n1.
What is the InChIKey of methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate?
The InChIKey is WRFKWNJUBLEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)11-6-4-5-10(13-11)9-14-7-2-3-8-14/h4-6H,2-3,7-9H2,1H3.
What are the key properties of methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate?
methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylate is sourced from PubChem (CID 15123266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).