3-bromo-6,7-dichloroquinoxalin-2-amine

C8H4BrCl2N3 — CID 11748379

IUPAC3-bromo-6,7-dichloroquinoxalin-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2nc1Br
InChIInChI=1S/C8H4BrCl2N3/c9-7-8(12)14-6-2-4(11)3(10)1-5(6)13-7/h1-2H,(H2,12,14)
InChIKeyJBARACFPFJWELW-UHFFFAOYSA-N
MW292.95 g/mol
LogP3.28
Rot. Bonds

About 3-bromo-6,7-dichloroquinoxalin-2-amine

3-bromo-6,7-dichloroquinoxalin-2-amine (PubChem CID 11748379) has the molecular formula C8H4BrCl2N3 and a molecular weight of 292.95 g/mol. Its IUPAC name is 3-bromo-6,7-dichloroquinoxalin-2-amine.

Molecular Properties

Compound Name3-bromo-6,7-dichloroquinoxalin-2-amine
PubChem CID11748379
Molecular FormulaC8H4BrCl2N3
Molecular Weight292.95 g/mol
Exact Mass290.90
IUPAC Name3-bromo-6,7-dichloroquinoxalin-2-amine
SMILESNc1nc2cc(Cl)c(Cl)cc2nc1Br
InChIInChI=1S/C8H4BrCl2N3/c9-7-8(12)14-6-2-4(11)3(10)1-5(6)13-7/h1-2H,(H2,12,14)
InChIKeyJBARACFPFJWELW-UHFFFAOYSA-N
XLogP3.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.95
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dichloroquinoxalin-2-amine?
The IUPAC name of 3-bromo-6,7-dichloroquinoxalin-2-amine (CID 11748379) is 3-bromo-6,7-dichloroquinoxalin-2-amine.
What is the SMILES notation for 3-bromo-6,7-dichloroquinoxalin-2-amine?
The canonical SMILES for 3-bromo-6,7-dichloroquinoxalin-2-amine is Nc1nc2cc(Cl)c(Cl)cc2nc1Br.
What is the InChIKey of 3-bromo-6,7-dichloroquinoxalin-2-amine?
The InChIKey is JBARACFPFJWELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2N3/c9-7-8(12)14-6-2-4(11)3(10)1-5(6)13-7/h1-2H,(H2,12,14).
What are the key properties of 3-bromo-6,7-dichloroquinoxalin-2-amine?
3-bromo-6,7-dichloroquinoxalin-2-amine has a molecular weight of 292.95 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dichloroquinoxalin-2-amine is sourced from PubChem (CID 11748379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).