3-bromoquinoline

C9H6BrN — CID 21413

IUPAC3-bromoquinoline
SMILESBrc1cnc2ccccc2c1
InChIInChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKeyZGIKWINFUGEQEO-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.00
Rot. Bonds

About 3-bromoquinoline

3-bromoquinoline (PubChem CID 21413) has the molecular formula C9H6BrN and a molecular weight of 208.06 g/mol. Its IUPAC name is 3-bromoquinoline.

Molecular Properties

Compound Name3-bromoquinoline
PubChem CID21413
Molecular FormulaC9H6BrN
Molecular Weight208.06 g/mol
Exact Mass206.97
IUPAC Name3-bromoquinoline
SMILESBrc1cnc2ccccc2c1
InChIInChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChIKeyZGIKWINFUGEQEO-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoline?
The IUPAC name of 3-bromoquinoline (CID 21413) is 3-bromoquinoline.
What is the SMILES notation for 3-bromoquinoline?
The canonical SMILES for 3-bromoquinoline is Brc1cnc2ccccc2c1.
What is the InChIKey of 3-bromoquinoline?
The InChIKey is ZGIKWINFUGEQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H.
What are the key properties of 3-bromoquinoline?
3-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 3-bromoquinoline is sourced from PubChem (CID 21413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).