6-oxo-1-phenylmethoxypyridine-3-carboxylic acid

C13H11NO4 — CID 82108192

IUPAC6-oxo-1-phenylmethoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2ccccc2)c1
InChIInChI=1S/C13H11NO4/c15-12-7-6-11(13(16)17)8-14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyFJJHJAQLARIVHO-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.18
Rot. Bonds4

About 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid

6-oxo-1-phenylmethoxypyridine-3-carboxylic acid (PubChem CID 82108192) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-phenylmethoxypyridine-3-carboxylic acid
PubChem CID82108192
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6-oxo-1-phenylmethoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(OCc2ccccc2)c1
InChIInChI=1S/C13H11NO4/c15-12-7-6-11(13(16)17)8-14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyFJJHJAQLARIVHO-UHFFFAOYSA-N
XLogP1.18
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid (CID 82108192) is 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(OCc2ccccc2)c1.
What is the InChIKey of 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
The InChIKey is FJJHJAQLARIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-12-7-6-11(13(16)17)8-14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid?
6-oxo-1-phenylmethoxypyridine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenylmethoxypyridine-3-carboxylic acid is sourced from PubChem (CID 82108192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).