methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate

C11H14N2O3 — CID 106905265

IUPACmethyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(O)C2)n1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)10-4-2-3-8(12-10)5-13-6-9(14)7-13/h2-4,9,14H,5-7H2,1H3
InChIKeyZUUTWESKDWIMPE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.04
Rot. Bonds3

About methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 106905265) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID106905265
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(O)C2)n1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)10-4-2-3-8(12-10)5-13-6-9(14)7-13/h2-4,9,14H,5-7H2,1H3
InChIKeyZUUTWESKDWIMPE-UHFFFAOYSA-N
XLogP0.04
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
CID 155912463
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622
methyl 6-[[(1S,18R)-14-[(6-methoxycarbonyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.0]henicosan-5-yl]methyl]pyridine-2-carboxylate
CID 155283747
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate (CID 106905265) is methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CC(O)C2)n1.
What is the InChIKey of methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is ZUUTWESKDWIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)10-4-2-3-8(12-10)5-13-6-9(14)7-13/h2-4,9,14H,5-7H2,1H3.
What are the key properties of methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).