5-amino-1,8-naphthyridine-4-carboxylic acid

C9H7N3O2 — CID 70580977

IUPAC5-amino-1,8-naphthyridine-4-carboxylic acid
SMILESNc1ccnc2nccc(C(=O)O)c12
InChIInChI=1S/C9H7N3O2/c10-6-2-4-12-8-7(6)5(9(13)14)1-3-11-8/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyVUZTWSSCBKTAMF-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.91
Rot. Bonds1

About 5-amino-1,8-naphthyridine-4-carboxylic acid

5-amino-1,8-naphthyridine-4-carboxylic acid (PubChem CID 70580977) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-amino-1,8-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1,8-naphthyridine-4-carboxylic acid
PubChem CID70580977
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name5-amino-1,8-naphthyridine-4-carboxylic acid
SMILESNc1ccnc2nccc(C(=O)O)c12
InChIInChI=1S/C9H7N3O2/c10-6-2-4-12-8-7(6)5(9(13)14)1-3-11-8/h1-4H,(H,13,14)(H2,10,11,12)
InChIKeyVUZTWSSCBKTAMF-UHFFFAOYSA-N
XLogP0.91
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,8-naphthyridine-4-carboxylic acid?
The IUPAC name of 5-amino-1,8-naphthyridine-4-carboxylic acid (CID 70580977) is 5-amino-1,8-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-1,8-naphthyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-1,8-naphthyridine-4-carboxylic acid is Nc1ccnc2nccc(C(=O)O)c12.
What is the InChIKey of 5-amino-1,8-naphthyridine-4-carboxylic acid?
The InChIKey is VUZTWSSCBKTAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-6-2-4-12-8-7(6)5(9(13)14)1-3-11-8/h1-4H,(H,13,14)(H2,10,11,12).
What are the key properties of 5-amino-1,8-naphthyridine-4-carboxylic acid?
5-amino-1,8-naphthyridine-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,8-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 70580977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).