2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid

C10H11NO5 — CID 117096547

IUPAC2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
SMILESCC(C)(O)C(=O)Oc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-10(2,15)9(14)16-7-6(8(12)13)4-3-5-11-7/h3-5,15H,1-2H3,(H,12,13)
InChIKeyQFOKHWVELUVEHT-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.46
Rot. Bonds3

About 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid

2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid (PubChem CID 117096547) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
PubChem CID117096547
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
SMILESCC(C)(O)C(=O)Oc1ncccc1C(=O)O
InChIInChI=1S/C10H11NO5/c1-10(2,15)9(14)16-7-6(8(12)13)4-3-5-11-7/h3-5,15H,1-2H3,(H,12,13)
InChIKeyQFOKHWVELUVEHT-UHFFFAOYSA-N
XLogP0.46
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butylpyridine-3-carboxylic acid
CID 20815660
2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
CID 117096595
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313
2-(4-tert-butyl-2-methylphenoxy)pyridine-3-carboxylic acid
CID 43238290
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
3-amino-2-(2-hydroxy-2-methylpropanoyl)oxybenzoic acid
CID 117095958
2-but-3-ynoxypyridine-3-carboxylic acid
CID 106794654
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
CID 117045771
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid (CID 117096547) is 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid is CC(C)(O)C(=O)Oc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid?
The InChIKey is QFOKHWVELUVEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-10(2,15)9(14)16-7-6(8(12)13)4-3-5-11-7/h3-5,15H,1-2H3,(H,12,13).
What are the key properties of 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid?
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 117096547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).