8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid

C10H4FN7O2 — CID 59696730

IUPAC8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILES[N-]=[N+]=Nc1cc2c(cc1F)cc(C(=O)O)c1nnnn12
InChIInChI=1S/C10H4FN7O2/c11-6-2-4-1-5(10(19)20)9-14-16-17-18(9)8(4)3-7(6)13-15-12/h1-3H,(H,19,20)
InChIKeyYHDPGUFDMCLDOD-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.06
Rot. Bonds2

About 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid

8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid (PubChem CID 59696730) has the molecular formula C10H4FN7O2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid
PubChem CID59696730
Molecular FormulaC10H4FN7O2
Molecular Weight273.19 g/mol
Exact Mass273.04
IUPAC Name8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid
SMILES[N-]=[N+]=Nc1cc2c(cc1F)cc(C(=O)O)c1nnnn12
InChIInChI=1S/C10H4FN7O2/c11-6-2-4-1-5(10(19)20)9-14-16-17-18(9)8(4)3-7(6)13-15-12/h1-3H,(H,19,20)
InChIKeyYHDPGUFDMCLDOD-UHFFFAOYSA-N
XLogP2.06
TPSA129.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid?
The IUPAC name of 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid (CID 59696730) is 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid?
The canonical SMILES for 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid is [N-]=[N+]=Nc1cc2c(cc1F)cc(C(=O)O)c1nnnn12.
What is the InChIKey of 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid?
The InChIKey is YHDPGUFDMCLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FN7O2/c11-6-2-4-1-5(10(19)20)9-14-16-17-18(9)8(4)3-7(6)13-15-12/h1-3H,(H,19,20).
What are the key properties of 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid?
8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid has a molecular weight of 273.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-7-fluorotetrazolo[1,5-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 59696730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).