3,5,7-tribromoquinoline

C9H4Br3N — CID 171475874

IUPAC3,5,7-tribromoquinoline
SMILESBrc1cc(Br)c2cc(Br)cnc2c1
InChIInChI=1S/C9H4Br3N/c10-5-2-8(12)7-1-6(11)4-13-9(7)3-5/h1-4H
InChIKeyRDKIGPBXOPZIBZ-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.52
Rot. Bonds

About 3,5,7-tribromoquinoline

3,5,7-tribromoquinoline (PubChem CID 171475874) has the molecular formula C9H4Br3N and a molecular weight of 365.85 g/mol. Its IUPAC name is 3,5,7-tribromoquinoline.

Molecular Properties

Compound Name3,5,7-tribromoquinoline
PubChem CID171475874
Molecular FormulaC9H4Br3N
Molecular Weight365.85 g/mol
Exact Mass362.79
IUPAC Name3,5,7-tribromoquinoline
SMILESBrc1cc(Br)c2cc(Br)cnc2c1
InChIInChI=1S/C9H4Br3N/c10-5-2-8(12)7-1-6(11)4-13-9(7)3-5/h1-4H
InChIKeyRDKIGPBXOPZIBZ-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 3,5,7-tribromoquinoline?
The IUPAC name of 3,5,7-tribromoquinoline (CID 171475874) is 3,5,7-tribromoquinoline.
What is the SMILES notation for 3,5,7-tribromoquinoline?
The canonical SMILES for 3,5,7-tribromoquinoline is Brc1cc(Br)c2cc(Br)cnc2c1.
What is the InChIKey of 3,5,7-tribromoquinoline?
The InChIKey is RDKIGPBXOPZIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N/c10-5-2-8(12)7-1-6(11)4-13-9(7)3-5/h1-4H.
What are the key properties of 3,5,7-tribromoquinoline?
3,5,7-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 3,5,7-tribromoquinoline is sourced from PubChem (CID 171475874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).