5-bromo-1,2,3,4-tetrahydroquinoxaline

C8H9BrN2 — CID 83835328

IUPAC5-bromo-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1cccc2c1NCCN2
InChIInChI=1S/C8H9BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10-11H,4-5H2
InChIKeyFIKDZJTWPVLQDX-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.29
Rot. Bonds

About 5-bromo-1,2,3,4-tetrahydroquinoxaline

5-bromo-1,2,3,4-tetrahydroquinoxaline (PubChem CID 83835328) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5-bromo-1,2,3,4-tetrahydroquinoxaline
PubChem CID83835328
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-1,2,3,4-tetrahydroquinoxaline
SMILESBrc1cccc2c1NCCN2
InChIInChI=1S/C8H9BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10-11H,4-5H2
InChIKeyFIKDZJTWPVLQDX-UHFFFAOYSA-N
XLogP2.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5-bromo-1,2,3,4-tetrahydroquinoxaline (CID 83835328) is 5-bromo-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5-bromo-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5-bromo-1,2,3,4-tetrahydroquinoxaline is Brc1cccc2c1NCCN2.
What is the InChIKey of 5-bromo-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is FIKDZJTWPVLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10-11H,4-5H2.
What are the key properties of 5-bromo-1,2,3,4-tetrahydroquinoxaline?
5-bromo-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 213.08 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 83835328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).