5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid

C9H10N2O3S — CID 114409759

IUPAC5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1SC1COC1
InChIInChI=1S/C9H10N2O3S/c10-6-1-2-7(9(12)13)11-8(6)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13)
InChIKeyFCFLFQSZNGUXGN-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.85
Rot. Bonds3

About 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid

5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid (PubChem CID 114409759) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
PubChem CID114409759
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1SC1COC1
InChIInChI=1S/C9H10N2O3S/c10-6-1-2-7(9(12)13)11-8(6)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13)
InChIKeyFCFLFQSZNGUXGN-UHFFFAOYSA-N
XLogP0.85
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxetan-3-ylsulfanyl)pyridazine-3-carboxylic acid
CID 79326262
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 81445836
methyl 5-amino-6-cyclopentylsulfanylpyridine-2-carboxylate
CID 114409662
3-(oxetan-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 79327020
2-amino-4-(oxetan-3-ylsulfanyl)benzoic acid
CID 104501173
5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
CID 112736320
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063804
5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
CID 114409789
5-amino-6-(2,3-dihydroxypropylsulfanyl)pyridine-2-carboxylic acid
CID 114409765
5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 114409313
6-cyclopentylsulfanyl-5-nitropyridine-2-carboxylic acid
CID 114404840
5-amino-6-(1-methylpiperidin-4-yl)oxypyridine-2-carboxylic acid
CID 114408869

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid (CID 114409759) is 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1SC1COC1.
What is the InChIKey of 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid?
The InChIKey is FCFLFQSZNGUXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-6-1-2-7(9(12)13)11-8(6)15-5-3-14-4-5/h1-2,5H,3-4,10H2,(H,12,13).
What are the key properties of 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid?
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114409759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).