2-(aminooxymethyl)pyridine-3-carboxylic acid

C7H8N2O3 — CID 127018679

IUPAC2-(aminooxymethyl)pyridine-3-carboxylic acid
SMILESNOCc1ncccc1C(=O)O
InChIInChI=1S/C7H8N2O3/c8-12-4-6-5(7(10)11)2-1-3-9-6/h1-3H,4,8H2,(H,10,11)
InChIKeyLFAUKEAENAPCBN-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.17
Rot. Bonds3

About 2-(aminooxymethyl)pyridine-3-carboxylic acid

2-(aminooxymethyl)pyridine-3-carboxylic acid (PubChem CID 127018679) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(aminooxymethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(aminooxymethyl)pyridine-3-carboxylic acid
PubChem CID127018679
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(aminooxymethyl)pyridine-3-carboxylic acid
SMILESNOCc1ncccc1C(=O)O
InChIInChI=1S/C7H8N2O3/c8-12-4-6-5(7(10)11)2-1-3-9-6/h1-3H,4,8H2,(H,10,11)
InChIKeyLFAUKEAENAPCBN-UHFFFAOYSA-N
XLogP0.17
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283
2-[2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 152590073
2-[(4-aminophenyl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198329
CID 119078369
CID 119078369
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198323
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
CID 22307391
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(aminooxymethyl)pyridine-3-carboxylic acid (CID 127018679) is 2-(aminooxymethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(aminooxymethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(aminooxymethyl)pyridine-3-carboxylic acid is NOCc1ncccc1C(=O)O.
What is the InChIKey of 2-(aminooxymethyl)pyridine-3-carboxylic acid?
The InChIKey is LFAUKEAENAPCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-12-4-6-5(7(10)11)2-1-3-9-6/h1-3H,4,8H2,(H,10,11).
What are the key properties of 2-(aminooxymethyl)pyridine-3-carboxylic acid?
2-(aminooxymethyl)pyridine-3-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 127018679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).