2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid

C16H10N2O4 — CID 58321412

IUPAC2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
SMILESO=COc1cc(-c2cc(C(=O)O)ccn2)nc2ccccc12
InChIInChI=1S/C16H10N2O4/c19-9-22-15-8-14(18-12-4-2-1-3-11(12)15)13-7-10(16(20)21)5-6-17-13/h1-9H,(H,20,21)
InChIKeyZUPLALWYSMSASZ-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid

2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid (PubChem CID 58321412) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
PubChem CID58321412
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid
SMILESO=COc1cc(-c2cc(C(=O)O)ccn2)nc2ccccc12
InChIInChI=1S/C16H10N2O4/c19-9-22-15-8-14(18-12-4-2-1-3-11(12)15)13-7-10(16(20)21)5-6-17-13/h1-9H,(H,20,21)
InChIKeyZUPLALWYSMSASZ-UHFFFAOYSA-N
XLogP2.53
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid (CID 58321412) is 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid is O=COc1cc(-c2cc(C(=O)O)ccn2)nc2ccccc12.
What is the InChIKey of 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid?
The InChIKey is ZUPLALWYSMSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c19-9-22-15-8-14(18-12-4-2-1-3-11(12)15)13-7-10(16(20)21)5-6-17-13/h1-9H,(H,20,21).
What are the key properties of 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid?
2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyloxyquinolin-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 58321412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).