2,4,7-tribromoquinoline

C9H4Br3N — CID 90123951

IUPAC2,4,7-tribromoquinoline
SMILESBrc1ccc2c(Br)cc(Br)nc2c1
InChIInChI=1S/C9H4Br3N/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4H
InChIKeySVLDMUAJDRRZAY-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.52
Rot. Bonds

About 2,4,7-tribromoquinoline

2,4,7-tribromoquinoline (PubChem CID 90123951) has the molecular formula C9H4Br3N and a molecular weight of 365.85 g/mol. Its IUPAC name is 2,4,7-tribromoquinoline.

Molecular Properties

Compound Name2,4,7-tribromoquinoline
PubChem CID90123951
Molecular FormulaC9H4Br3N
Molecular Weight365.85 g/mol
Exact Mass362.79
IUPAC Name2,4,7-tribromoquinoline
SMILESBrc1ccc2c(Br)cc(Br)nc2c1
InChIInChI=1S/C9H4Br3N/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4H
InChIKeySVLDMUAJDRRZAY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-tribromoquinoline?
The IUPAC name of 2,4,7-tribromoquinoline (CID 90123951) is 2,4,7-tribromoquinoline.
What is the SMILES notation for 2,4,7-tribromoquinoline?
The canonical SMILES for 2,4,7-tribromoquinoline is Brc1ccc2c(Br)cc(Br)nc2c1.
What is the InChIKey of 2,4,7-tribromoquinoline?
The InChIKey is SVLDMUAJDRRZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4H.
What are the key properties of 2,4,7-tribromoquinoline?
2,4,7-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 2,4,7-tribromoquinoline is sourced from PubChem (CID 90123951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).