6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid

C14H13NO5 — CID 59600557

IUPAC6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(CO)c(OCc2ccccc2)c1=O
InChIInChI=1S/C14H13NO5/c16-7-11-13(12(17)10(6-15-11)14(18)19)20-8-9-4-2-1-3-5-9/h1-6,16H,7-8H2,(H,15,17)(H,18,19)
InChIKeyZAJLILDODBISQE-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.14
Rot. Bonds5

About 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid

6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid (PubChem CID 59600557) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid
PubChem CID59600557
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(CO)c(OCc2ccccc2)c1=O
InChIInChI=1S/C14H13NO5/c16-7-11-13(12(17)10(6-15-11)14(18)19)20-8-9-4-2-1-3-5-9/h1-6,16H,7-8H2,(H,15,17)(H,18,19)
InChIKeyZAJLILDODBISQE-UHFFFAOYSA-N
XLogP1.14
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid (CID 59600557) is 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(CO)c(OCc2ccccc2)c1=O.
What is the InChIKey of 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid?
The InChIKey is ZAJLILDODBISQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-7-11-13(12(17)10(6-15-11)14(18)19)20-8-9-4-2-1-3-5-9/h1-6,16H,7-8H2,(H,15,17)(H,18,19).
What are the key properties of 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid?
6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 59600557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).