2-bromoquinoline

C9H6BrN — CID 2762756

IUPAC2-bromoquinoline
SMILESBrc1ccc2ccccc2n1
InChIInChI=1S/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyQKJAZPHKNWSXDF-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.00
Rot. Bonds

About 2-bromoquinoline

2-bromoquinoline (PubChem CID 2762756) has the molecular formula C9H6BrN and a molecular weight of 208.06 g/mol. Its IUPAC name is 2-bromoquinoline.

Molecular Properties

Compound Name2-bromoquinoline
PubChem CID2762756
Molecular FormulaC9H6BrN
Molecular Weight208.06 g/mol
Exact Mass206.97
IUPAC Name2-bromoquinoline
SMILESBrc1ccc2ccccc2n1
InChIInChI=1S/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyQKJAZPHKNWSXDF-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromoquinoline?
The IUPAC name of 2-bromoquinoline (CID 2762756) is 2-bromoquinoline.
What is the SMILES notation for 2-bromoquinoline?
The canonical SMILES for 2-bromoquinoline is Brc1ccc2ccccc2n1.
What is the InChIKey of 2-bromoquinoline?
The InChIKey is QKJAZPHKNWSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H.
What are the key properties of 2-bromoquinoline?
2-bromoquinoline has a molecular weight of 208.06 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoquinoline is sourced from PubChem (CID 2762756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).