7-amino-8-fluoroquinoline-2-carboxylic acid

C10H7FN2O2 — CID 90690862

IUPAC7-amino-8-fluoroquinoline-2-carboxylic acid
SMILESNc1ccc2ccc(C(=O)O)nc2c1F
InChIInChI=1S/C10H7FN2O2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,12H2,(H,14,15)
InChIKeyADMWASUIJYHLBD-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.65
Rot. Bonds1

About 7-amino-8-fluoroquinoline-2-carboxylic acid

7-amino-8-fluoroquinoline-2-carboxylic acid (PubChem CID 90690862) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 7-amino-8-fluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-amino-8-fluoroquinoline-2-carboxylic acid
PubChem CID90690862
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name7-amino-8-fluoroquinoline-2-carboxylic acid
SMILESNc1ccc2ccc(C(=O)O)nc2c1F
InChIInChI=1S/C10H7FN2O2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,12H2,(H,14,15)
InChIKeyADMWASUIJYHLBD-UHFFFAOYSA-N
XLogP1.65
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8-fluoroquinoline-2-carboxylic acid?
The IUPAC name of 7-amino-8-fluoroquinoline-2-carboxylic acid (CID 90690862) is 7-amino-8-fluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 7-amino-8-fluoroquinoline-2-carboxylic acid?
The canonical SMILES for 7-amino-8-fluoroquinoline-2-carboxylic acid is Nc1ccc2ccc(C(=O)O)nc2c1F.
What is the InChIKey of 7-amino-8-fluoroquinoline-2-carboxylic acid?
The InChIKey is ADMWASUIJYHLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,12H2,(H,14,15).
What are the key properties of 7-amino-8-fluoroquinoline-2-carboxylic acid?
7-amino-8-fluoroquinoline-2-carboxylic acid has a molecular weight of 206.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-fluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 90690862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).