3-bromo-N,N-dimethylquinoxalin-2-amine

C10H10BrN3 — CID 87294920

IUPAC3-bromo-N,N-dimethylquinoxalin-2-amine
SMILESCN(C)c1nc2ccccc2nc1Br
InChIInChI=1S/C10H10BrN3/c1-14(2)10-9(11)12-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyYCNYXVYAEVPDQE-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.46
Rot. Bonds1

About 3-bromo-N,N-dimethylquinoxalin-2-amine

3-bromo-N,N-dimethylquinoxalin-2-amine (PubChem CID 87294920) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-bromo-N,N-dimethylquinoxalin-2-amine.

Molecular Properties

Compound Name3-bromo-N,N-dimethylquinoxalin-2-amine
PubChem CID87294920
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-bromo-N,N-dimethylquinoxalin-2-amine
SMILESCN(C)c1nc2ccccc2nc1Br
InChIInChI=1S/C10H10BrN3/c1-14(2)10-9(11)12-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3
InChIKeyYCNYXVYAEVPDQE-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dimethylquinoxalin-2-amine?
The IUPAC name of 3-bromo-N,N-dimethylquinoxalin-2-amine (CID 87294920) is 3-bromo-N,N-dimethylquinoxalin-2-amine.
What is the SMILES notation for 3-bromo-N,N-dimethylquinoxalin-2-amine?
The canonical SMILES for 3-bromo-N,N-dimethylquinoxalin-2-amine is CN(C)c1nc2ccccc2nc1Br.
What is the InChIKey of 3-bromo-N,N-dimethylquinoxalin-2-amine?
The InChIKey is YCNYXVYAEVPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14(2)10-9(11)12-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3.
What are the key properties of 3-bromo-N,N-dimethylquinoxalin-2-amine?
3-bromo-N,N-dimethylquinoxalin-2-amine has a molecular weight of 252.12 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dimethylquinoxalin-2-amine is sourced from PubChem (CID 87294920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).