6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid

C13H13NO4 — CID 3759703

IUPAC6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccccc2)C(=O)NCC1
InChIInChI=1S/C13H13NO4/c15-12-11(10(13(16)17)6-7-14-12)18-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17)
InChIKeyICVPOTCVGNBSMD-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.06
Rot. Bonds4

About 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid

6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid (PubChem CID 3759703) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid
PubChem CID3759703
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccccc2)C(=O)NCC1
InChIInChI=1S/C13H13NO4/c15-12-11(10(13(16)17)6-7-14-12)18-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17)
InChIKeyICVPOTCVGNBSMD-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The IUPAC name of 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid (CID 3759703) is 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid is O=C(O)C1=C(OCc2ccccc2)C(=O)NCC1.
What is the InChIKey of 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid?
The InChIKey is ICVPOTCVGNBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-12-11(10(13(16)17)6-7-14-12)18-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)(H,16,17).
What are the key properties of 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid?
6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-phenylmethoxy-2,3-dihydro-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 3759703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).