7-bromoquinoline

C9H6BrN — CID 521259

IUPAC7-bromoquinoline
SMILESBrc1ccc2cccnc2c1
InChIInChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKeyXYBSZCUHOLWQQU-UHFFFAOYSA-N
MW208.06 g/mol
LogP3.00
Rot. Bonds

About 7-bromoquinoline

7-bromoquinoline (PubChem CID 521259) has the molecular formula C9H6BrN and a molecular weight of 208.06 g/mol. Its IUPAC name is 7-bromoquinoline.

Molecular Properties

Compound Name7-bromoquinoline
PubChem CID521259
Molecular FormulaC9H6BrN
Molecular Weight208.06 g/mol
Exact Mass206.97
IUPAC Name7-bromoquinoline
SMILESBrc1ccc2cccnc2c1
InChIInChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKeyXYBSZCUHOLWQQU-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

Brompheniramine
CID 6834
Quinoline
CID 7047
6-Methylquinoline
CID 7059
Dexbrompheniramine
CID 16960
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
Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CID 85025
7-Methylquinoline
CID 11927

Frequently Asked Questions

What is the IUPAC name of 7-bromoquinoline?
The IUPAC name of 7-bromoquinoline (CID 521259) is 7-bromoquinoline.
What is the SMILES notation for 7-bromoquinoline?
The canonical SMILES for 7-bromoquinoline is Brc1ccc2cccnc2c1.
What is the InChIKey of 7-bromoquinoline?
The InChIKey is XYBSZCUHOLWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H.
What are the key properties of 7-bromoquinoline?
7-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 7-bromoquinoline is sourced from PubChem (CID 521259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).