5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid

C15H14BrN3O2 — CID 63778809

IUPAC5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(Br)cc2C(=O)O)c2ccccc21
InChIInChI=1S/C15H14BrN3O2/c1-18-6-7-19(13-5-3-2-4-12(13)18)14-11(15(20)21)8-10(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyGOEOISPUGWBMED-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.13
Rot. Bonds2

About 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid

5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid (PubChem CID 63778809) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid
PubChem CID63778809
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid
SMILESCN1CCN(c2ncc(Br)cc2C(=O)O)c2ccccc21
InChIInChI=1S/C15H14BrN3O2/c1-18-6-7-19(13-5-3-2-4-12(13)18)14-11(15(20)21)8-10(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyGOEOISPUGWBMED-UHFFFAOYSA-N
XLogP3.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid (CID 63778809) is 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid is CN1CCN(c2ncc(Br)cc2C(=O)O)c2ccccc21.
What is the InChIKey of 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GOEOISPUGWBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-18-6-7-19(13-5-3-2-4-12(13)18)14-11(15(20)21)8-10(16)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid?
5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 348.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63778809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).