8-bromo-7-fluoroquinoline-2-carboxylic acid

C10H5BrFNO2 — CID 97036795

IUPAC8-bromo-7-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(F)c(Br)c2n1
InChIInChI=1S/C10H5BrFNO2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,(H,14,15)
InChIKeyZWEPPCYRSMPNLO-UHFFFAOYSA-N
MW270.06 g/mol
LogP2.83
Rot. Bonds1

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

8-bromo-7-fluoroquinoline-2-carboxylic acid (PubChem CID 97036795) has the molecular formula C10H5BrFNO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 8-bromo-7-fluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-7-fluoroquinoline-2-carboxylic acid
PubChem CID97036795
Molecular FormulaC10H5BrFNO2
Molecular Weight270.06 g/mol
Exact Mass268.95
IUPAC Name8-bromo-7-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2ccc(F)c(Br)c2n1
InChIInChI=1S/C10H5BrFNO2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,(H,14,15)
InChIKeyZWEPPCYRSMPNLO-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoroquinoline-2-carboxylic acid?
The IUPAC name of 8-bromo-7-fluoroquinoline-2-carboxylic acid (CID 97036795) is 8-bromo-7-fluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 8-bromo-7-fluoroquinoline-2-carboxylic acid?
The canonical SMILES for 8-bromo-7-fluoroquinoline-2-carboxylic acid is O=C(O)c1ccc2ccc(F)c(Br)c2n1.
What is the InChIKey of 8-bromo-7-fluoroquinoline-2-carboxylic acid?
The InChIKey is ZWEPPCYRSMPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,(H,14,15).
What are the key properties of 8-bromo-7-fluoroquinoline-2-carboxylic acid?
8-bromo-7-fluoroquinoline-2-carboxylic acid has a molecular weight of 270.06 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 97036795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).