8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid

C15H9BrN2O2 — CID 5020834

IUPAC8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2c(Br)cccc12
InChIInChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(19)20)7-13(18-14(10)12)9-3-2-6-17-8-9/h1-8H,(H,19,20)
InChIKeyYIDGHQSZKRIVOT-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.76
Rot. Bonds2

About 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid

8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid (PubChem CID 5020834) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
PubChem CID5020834
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2c(Br)cccc12
InChIInChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(19)20)7-13(18-14(10)12)9-3-2-6-17-8-9/h1-8H,(H,19,20)
InChIKeyYIDGHQSZKRIVOT-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 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid (CID 5020834) is 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The InChIKey is YIDGHQSZKRIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-12-5-1-4-10-11(15(19)20)7-13(18-14(10)12)9-3-2-6-17-8-9/h1-8H,(H,19,20).
What are the key properties of 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
8-bromo-2-pyridin-3-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 8-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 5020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).