3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid

C9H10N2O4 — CID 102607093

IUPAC3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1OC1COC1
InChIInChI=1S/C9H10N2O4/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13)
InChIKeyUFVMLIFRYQSZDP-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.14
Rot. Bonds3

About 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid

3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid (PubChem CID 102607093) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid
PubChem CID102607093
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1OC1COC1
InChIInChI=1S/C9H10N2O4/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13)
InChIKeyUFVMLIFRYQSZDP-UHFFFAOYSA-N
XLogP0.14
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
5-amino-3-chloro-2-(oxetan-3-yloxy)benzoic acid
CID 107198210
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 79181195
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063804
2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102605782
7-(oxetan-3-yloxy)-1-[(5-oxopyrrolidin-2-yl)methoxy]isoquinoline-6-carboxamide
CID 166972503
3-amino-2-cyclopentyloxypyridine-4-carbonitrile
CID 82812658
5-amino-1,8-naphthyridine-4-carboxylic acid
CID 70580977

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid (CID 102607093) is 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid is Nc1c(C(=O)O)ccnc1OC1COC1.
What is the InChIKey of 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid?
The InChIKey is UFVMLIFRYQSZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13).
What are the key properties of 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid?
3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(oxetan-3-yloxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 102607093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).