3-bromo-2,4-dichloro-6-iodoquinoline

C9H3BrCl2IN — CID 87158124

IUPAC3-bromo-2,4-dichloro-6-iodoquinoline
SMILESClc1nc2ccc(I)cc2c(Cl)c1Br
InChIInChI=1S/C9H3BrCl2IN/c10-7-8(11)5-3-4(13)1-2-6(5)14-9(7)12/h1-3H
InChIKeyANELSXYDQLKBAF-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.91
Rot. Bonds

About 3-bromo-2,4-dichloro-6-iodoquinoline

3-bromo-2,4-dichloro-6-iodoquinoline (PubChem CID 87158124) has the molecular formula C9H3BrCl2IN and a molecular weight of 402.84 g/mol. Its IUPAC name is 3-bromo-2,4-dichloro-6-iodoquinoline.

Molecular Properties

Compound Name3-bromo-2,4-dichloro-6-iodoquinoline
PubChem CID87158124
Molecular FormulaC9H3BrCl2IN
Molecular Weight402.84 g/mol
Exact Mass400.79
IUPAC Name3-bromo-2,4-dichloro-6-iodoquinoline
SMILESClc1nc2ccc(I)cc2c(Cl)c1Br
InChIInChI=1S/C9H3BrCl2IN/c10-7-8(11)5-3-4(13)1-2-6(5)14-9(7)12/h1-3H
InChIKeyANELSXYDQLKBAF-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4-dichloro-6-iodoquinoline?
The IUPAC name of 3-bromo-2,4-dichloro-6-iodoquinoline (CID 87158124) is 3-bromo-2,4-dichloro-6-iodoquinoline.
What is the SMILES notation for 3-bromo-2,4-dichloro-6-iodoquinoline?
The canonical SMILES for 3-bromo-2,4-dichloro-6-iodoquinoline is Clc1nc2ccc(I)cc2c(Cl)c1Br.
What is the InChIKey of 3-bromo-2,4-dichloro-6-iodoquinoline?
The InChIKey is ANELSXYDQLKBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2IN/c10-7-8(11)5-3-4(13)1-2-6(5)14-9(7)12/h1-3H.
What are the key properties of 3-bromo-2,4-dichloro-6-iodoquinoline?
3-bromo-2,4-dichloro-6-iodoquinoline has a molecular weight of 402.84 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4-dichloro-6-iodoquinoline is sourced from PubChem (CID 87158124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).