methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate

C12H16N2O3 — CID 62347787

IUPACmethyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OCC1CCCN1
InChIInChI=1S/C12H16N2O3/c1-16-12(15)10-5-3-7-14-11(10)17-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKeyATSKRAMLDRWWRD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.00
Rot. Bonds4

About methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate

methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate (PubChem CID 62347787) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
PubChem CID62347787
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1OCC1CCCN1
InChIInChI=1S/C12H16N2O3/c1-16-12(15)10-5-3-7-14-11(10)17-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3
InChIKeyATSKRAMLDRWWRD-UHFFFAOYSA-N
XLogP1.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
CID 67322223
ethyl 2-(piperidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62349275
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
methyl 2-[(6-methylmorpholin-2-yl)methoxy]pyridine-3-carboxylate
CID 102635178
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
CID 82572627

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate (CID 62347787) is methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate is COC(=O)c1cccnc1OCC1CCCN1.
What is the InChIKey of methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate?
The InChIKey is ATSKRAMLDRWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-12(15)10-5-3-7-14-11(10)17-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3.
What are the key properties of methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate?
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 62347787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).