6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid

C15H9BrN2O2 — CID 759123

IUPAC6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C15H9BrN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20)
InChIKeyWNXWWXFTFGLCEC-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid

6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 759123) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID759123
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccn2)nc2ccc(Br)cc12
InChIInChI=1S/C15H9BrN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20)
InChIKeyWNXWWXFTFGLCEC-UHFFFAOYSA-N
XLogP3.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 759123) is 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccn2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is WNXWWXFTFGLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20).
What are the key properties of 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid?
6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 329.15 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 759123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).