5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

C15H8BrFN2O2 — CID 83120187

IUPAC5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2cccc(Br)c12
InChIInChI=1S/C15H8BrFN2O2/c16-10-2-1-3-12-14(10)9(15(20)21)6-13(19-12)11-5-4-8(17)7-18-11/h1-7H,(H,20,21)
InChIKeyGUHGMPIYCPLNBF-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.90
Rot. Bonds2

About 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid

5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (PubChem CID 83120187) has the molecular formula C15H8BrFN2O2 and a molecular weight of 347.14 g/mol. Its IUPAC name is 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
PubChem CID83120187
Molecular FormulaC15H8BrFN2O2
Molecular Weight347.14 g/mol
Exact Mass345.98
IUPAC Name5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cn2)nc2cccc(Br)c12
InChIInChI=1S/C15H8BrFN2O2/c16-10-2-1-3-12-14(10)9(15(20)21)6-13(19-12)11-5-4-8(17)7-18-11/h1-7H,(H,20,21)
InChIKeyGUHGMPIYCPLNBF-UHFFFAOYSA-N
XLogP3.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid (CID 83120187) is 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cn2)nc2cccc(Br)c12.
What is the InChIKey of 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
The InChIKey is GUHGMPIYCPLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O2/c16-10-2-1-3-12-14(10)9(15(20)21)6-13(19-12)11-5-4-8(17)7-18-11/h1-7H,(H,20,21).
What are the key properties of 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid?
5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid has a molecular weight of 347.14 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 83120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).