4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C9H7N3O3 — CID 12818604

IUPAC4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2ncccc12
InChIInChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13)
InChIKeyFDBZDXTUWGEFQA-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.20
Rot. Bonds1

About 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 12818604) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID12818604
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2ncccc12
InChIInChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13)
InChIKeyFDBZDXTUWGEFQA-UHFFFAOYSA-N
XLogP0.20
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 12818604) is 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is Nc1c(C(=O)O)c(=O)[nH]c2ncccc12.
What is the InChIKey of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FDBZDXTUWGEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13).
What are the key properties of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 12818604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).