2-(2-oxopropoxy)pyridine-3-carboxylic acid

C9H9NO4 — CID 89326483

IUPAC2-(2-oxopropoxy)pyridine-3-carboxylic acid
SMILESCC(=O)COc1ncccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-6(11)5-14-8-7(9(12)13)3-2-4-10-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBRWYRSGRVJJOSW-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.75
Rot. Bonds4

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

2-(2-oxopropoxy)pyridine-3-carboxylic acid (PubChem CID 89326483) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-(2-oxopropoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-oxopropoxy)pyridine-3-carboxylic acid
PubChem CID89326483
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-(2-oxopropoxy)pyridine-3-carboxylic acid
SMILESCC(=O)COc1ncccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-6(11)5-14-8-7(9(12)13)3-2-4-10-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBRWYRSGRVJJOSW-UHFFFAOYSA-N
XLogP0.75
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-but-3-enoxypyridine-3-carboxylic acid
CID 43128784
2-but-3-ynoxypyridine-3-carboxylic acid
CID 106794654
2-(4-oxo-4-phenylbutoxy)pyridine-3-carboxylic acid
CID 143555857
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
2-(3-acetamidophenoxy)pyridine-3-carboxylic acid
CID 22612378
2-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctoxy]pyridine-3-carboxylic acid
CID 176683313
2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 141264679
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-oxopropoxy)pyridine-3-carboxylic acid (CID 89326483) is 2-(2-oxopropoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-oxopropoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-oxopropoxy)pyridine-3-carboxylic acid is CC(=O)COc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-oxopropoxy)pyridine-3-carboxylic acid?
The InChIKey is BRWYRSGRVJJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-6(11)5-14-8-7(9(12)13)3-2-4-10-8/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-oxopropoxy)pyridine-3-carboxylic acid?
2-(2-oxopropoxy)pyridine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 89326483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).