6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid

C10H12N2O3 — CID 121201375

IUPAC6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1CN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C10H12N2O3/c1-15-8-5-12(6-8)9-3-2-7(4-11-9)10(13)14/h2-4,8H,5-6H2,1H3,(H,13,14)
InChIKeyXLMGPHRNMVKUTC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds3

About 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid

6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 121201375) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
PubChem CID121201375
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1CN(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C10H12N2O3/c1-15-8-5-12(6-8)9-3-2-7(4-11-9)10(13)14/h2-4,8H,5-6H2,1H3,(H,13,14)
InChIKeyXLMGPHRNMVKUTC-UHFFFAOYSA-N
XLogP0.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
6-(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)pyridine-3-carboxylic acid
CID 121202191
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid (CID 121201375) is 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid is COC1CN(c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is XLMGPHRNMVKUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-8-5-12(6-8)9-3-2-7(4-11-9)10(13)14/h2-4,8H,5-6H2,1H3,(H,13,14).
What are the key properties of 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid?
6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyazetidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121201375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).