3,6,8-tribromoquinoline

C9H4Br3N — CID 91172401

IUPAC3,6,8-tribromoquinoline
SMILESBrc1cnc2c(Br)cc(Br)cc2c1
InChIInChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H
InChIKeyBWLLHQAEWSCQSO-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.52
Rot. Bonds

About 3,6,8-tribromoquinoline

3,6,8-tribromoquinoline (PubChem CID 91172401) has the molecular formula C9H4Br3N and a molecular weight of 365.85 g/mol. Its IUPAC name is 3,6,8-tribromoquinoline.

Molecular Properties

Compound Name3,6,8-tribromoquinoline
PubChem CID91172401
Molecular FormulaC9H4Br3N
Molecular Weight365.85 g/mol
Exact Mass362.79
IUPAC Name3,6,8-tribromoquinoline
SMILESBrc1cnc2c(Br)cc(Br)cc2c1
InChIInChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H
InChIKeyBWLLHQAEWSCQSO-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,8-tribromoquinoline?
The IUPAC name of 3,6,8-tribromoquinoline (CID 91172401) is 3,6,8-tribromoquinoline.
What is the SMILES notation for 3,6,8-tribromoquinoline?
The canonical SMILES for 3,6,8-tribromoquinoline is Brc1cnc2c(Br)cc(Br)cc2c1.
What is the InChIKey of 3,6,8-tribromoquinoline?
The InChIKey is BWLLHQAEWSCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N/c10-6-1-5-2-7(11)4-13-9(5)8(12)3-6/h1-4H.
What are the key properties of 3,6,8-tribromoquinoline?
3,6,8-tribromoquinoline has a molecular weight of 365.85 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-tribromoquinoline is sourced from PubChem (CID 91172401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).