(4-oxo-1,5-naphthyridin-1-yl) formate

C9H6N2O3 — CID 57016904

IUPAC(4-oxo-1,5-naphthyridin-1-yl) formate
SMILESO=COn1ccc(=O)c2ncccc21
InChIInChI=1S/C9H6N2O3/c12-6-14-11-5-3-8(13)9-7(11)2-1-4-10-9/h1-6H
InChIKeySYSBDDOIMUOMHQ-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.02
Rot. Bonds2

About (4-oxo-1,5-naphthyridin-1-yl) formate

(4-oxo-1,5-naphthyridin-1-yl) formate (PubChem CID 57016904) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is (4-oxo-1,5-naphthyridin-1-yl) formate.

Molecular Properties

Compound Name(4-oxo-1,5-naphthyridin-1-yl) formate
PubChem CID57016904
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name(4-oxo-1,5-naphthyridin-1-yl) formate
SMILESO=COn1ccc(=O)c2ncccc21
InChIInChI=1S/C9H6N2O3/c12-6-14-11-5-3-8(13)9-7(11)2-1-4-10-9/h1-6H
InChIKeySYSBDDOIMUOMHQ-UHFFFAOYSA-N
XLogP-0.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
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 (4-oxo-1,5-naphthyridin-1-yl) formate?
The IUPAC name of (4-oxo-1,5-naphthyridin-1-yl) formate (CID 57016904) is (4-oxo-1,5-naphthyridin-1-yl) formate.
What is the SMILES notation for (4-oxo-1,5-naphthyridin-1-yl) formate?
The canonical SMILES for (4-oxo-1,5-naphthyridin-1-yl) formate is O=COn1ccc(=O)c2ncccc21.
What is the InChIKey of (4-oxo-1,5-naphthyridin-1-yl) formate?
The InChIKey is SYSBDDOIMUOMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-6-14-11-5-3-8(13)9-7(11)2-1-4-10-9/h1-6H.
What are the key properties of (4-oxo-1,5-naphthyridin-1-yl) formate?
(4-oxo-1,5-naphthyridin-1-yl) formate has a molecular weight of 190.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,5-naphthyridin-1-yl) formate is sourced from PubChem (CID 57016904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).