3-oxo-2H-2,7-naphthyridine-4-carboxylic acid

C9H6N2O3 — CID 83829417

IUPAC3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(=O)[nH]cc2cnccc12
InChIInChI=1S/C9H6N2O3/c12-8-7(9(13)14)6-1-2-10-3-5(6)4-11-8/h1-4H,(H,11,12)(H,13,14)
InChIKeyFUSRAOPDMLGMHD-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.62
Rot. Bonds1

About 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid

3-oxo-2H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 83829417) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
PubChem CID83829417
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1c(=O)[nH]cc2cnccc12
InChIInChI=1S/C9H6N2O3/c12-8-7(9(13)14)6-1-2-10-3-5(6)4-11-8/h1-4H,(H,11,12)(H,13,14)
InChIKeyFUSRAOPDMLGMHD-UHFFFAOYSA-N
XLogP0.62
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid (CID 83829417) is 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1c(=O)[nH]cc2cnccc12.
What is the InChIKey of 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is FUSRAOPDMLGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-7(9(13)14)6-1-2-10-3-5(6)4-11-8/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid?
3-oxo-2H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 83829417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).