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

C15H9BrN2O2 — CID 694704

IUPAC6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20)
InChIKeyAVLAIBAXSCQGEN-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid

6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid (PubChem CID 694704) has the molecular formula C15H9BrN2O2 and a molecular weight of 329.15 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
PubChem CID694704
Molecular FormulaC15H9BrN2O2
Molecular Weight329.15 g/mol
Exact Mass327.98
IUPAC Name6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20)
InChIKeyAVLAIBAXSCQGEN-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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Related Compounds

6-bromo-7-fluoro-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 61357543
6-bromo-8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 60984137
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
6-bromo-2-(2-bromophenyl)quinoline-4-carboxylic acid
CID 994225
6-bromo-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965680
6-bromo-N-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 155968260
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798336
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-bromo-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)quinoline-4-carboxylic acid
CID 58487630

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid (CID 694704) is 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
The InChIKey is AVLAIBAXSCQGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O2/c16-10-3-4-13-11(6-10)12(15(19)20)7-14(18-13)9-2-1-5-17-8-9/h1-8H,(H,19,20).
What are the key properties of 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid?
6-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 6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 694704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).