4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid

C11H8N2O4 — CID 91536532

IUPAC4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1ccc(=O)[nH]c1
InChIInChI=1S/C11H8N2O4/c14-10-2-1-7(5-13-10)17-9-3-4-12-6-8(9)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyPKOYHBDMSIRFAT-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.26
Rot. Bonds3

About 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid

4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 91536532) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
PubChem CID91536532
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Oc1ccc(=O)[nH]c1
InChIInChI=1S/C11H8N2O4/c14-10-2-1-7(5-13-10)17-9-3-4-12-6-8(9)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyPKOYHBDMSIRFAT-UHFFFAOYSA-N
XLogP1.26
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
4-(4-methylsulfanylphenoxy)pyridine-3-carboxylic acid
CID 81226086
4-(3,5-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81225523
3-(4-iodophenoxy)pyridine-4-carboxylic acid
CID 114288913
3-(4-chlorophenoxy)pyridine-4-carboxylic acid
CID 114288873
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
4-(4-bromophenoxy)pyridine-3-carboxamide
CID 147228091
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
2-chloro-5-[(3-methyl-4-pyridinyl)oxy]benzoic acid
CID 106502871
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
3-(4-acetylphenoxy)pyridine-4-carboxylic acid
CID 81443544
4-octoxypyridine-3-carboxylic acid
CID 81226157

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid (CID 91536532) is 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid is O=C(O)c1cnccc1Oc1ccc(=O)[nH]c1.
What is the InChIKey of 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is PKOYHBDMSIRFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10-2-1-7(5-13-10)17-9-3-4-12-6-8(9)11(15)16/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid?
4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyridin-3-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 91536532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).