9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid

C13H7FN2O2 — CID 2050113

IUPAC9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid
SMILESO=C(O)c1nc2ccc(F)cc2c2ncccc12
InChIInChI=1S/C13H7FN2O2/c14-7-3-4-10-9(6-7)11-8(2-1-5-15-11)12(16-10)13(17)18/h1-6H,(H,17,18)
InChIKeyVEBUAPCUHFQXKI-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.62
Rot. Bonds1

About 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid

9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid (PubChem CID 2050113) has the molecular formula C13H7FN2O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid.

Molecular Properties

Compound Name9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid
PubChem CID2050113
Molecular FormulaC13H7FN2O2
Molecular Weight242.21 g/mol
Exact Mass242.05
IUPAC Name9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid
SMILESO=C(O)c1nc2ccc(F)cc2c2ncccc12
InChIInChI=1S/C13H7FN2O2/c14-7-3-4-10-9(6-7)11-8(2-1-5-15-11)12(16-10)13(17)18/h1-6H,(H,17,18)
InChIKeyVEBUAPCUHFQXKI-UHFFFAOYSA-N
XLogP2.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid?
The IUPAC name of 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid (CID 2050113) is 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid.
What is the SMILES notation for 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid?
The canonical SMILES for 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid is O=C(O)c1nc2ccc(F)cc2c2ncccc12.
What is the InChIKey of 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid?
The InChIKey is VEBUAPCUHFQXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2/c14-7-3-4-10-9(6-7)11-8(2-1-5-15-11)12(16-10)13(17)18/h1-6H,(H,17,18).
What are the key properties of 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid?
9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid has a molecular weight of 242.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluorobenzo[h][1,6]naphthyridine-5-carboxylic acid is sourced from PubChem (CID 2050113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).