5-bromoquinoline

C9H6BrN — CID 817321

IUPAC5-bromoquinoline
SMILESBrc1cccc2ncccc12
InChIInChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKeyCHODTZCXWXCALP-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.00
Rot. Bonds

About 5-bromoquinoline

5-bromoquinoline (PubChem CID 817321) has the molecular formula C9H6BrN and a molecular weight of 208.06 g/mol. Its IUPAC name is 5-bromoquinoline.

Molecular Properties

Compound Name5-bromoquinoline
PubChem CID817321
Molecular FormulaC9H6BrN
Molecular Weight208.06 g/mol
Exact Mass206.97
IUPAC Name5-bromoquinoline
SMILESBrc1cccc2ncccc12
InChIInChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H
InChIKeyCHODTZCXWXCALP-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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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
Quinoline, 2-(tribromomethyl)-
CID 69178
Quinoline 1-oxide
CID 15366
4-Aminoquinoline
CID 68476
7-Bromoquinoline
CID 521259
Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CID 85025
7-Methylquinoline
CID 11927
1,10-Phenanthroline, 5-bromo-
CID 148335

Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoline?
The IUPAC name of 5-bromoquinoline (CID 817321) is 5-bromoquinoline.
What is the SMILES notation for 5-bromoquinoline?
The canonical SMILES for 5-bromoquinoline is Brc1cccc2ncccc12.
What is the InChIKey of 5-bromoquinoline?
The InChIKey is CHODTZCXWXCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H.
What are the key properties of 5-bromoquinoline?
5-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 5-bromoquinoline is sourced from PubChem (CID 817321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).