8-bromo-2-chloro-5-iodoquinoline

C9H4BrClIN — CID 130499521

IUPAC8-bromo-2-chloro-5-iodoquinoline
SMILESClc1ccc2c(I)ccc(Br)c2n1
InChIInChI=1S/C9H4BrClIN/c10-6-2-3-7(12)5-1-4-8(11)13-9(5)6/h1-4H
InChIKeyUDZWYUYAJMDNQK-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.26
Rot. Bonds

About 8-bromo-2-chloro-5-iodoquinoline

8-bromo-2-chloro-5-iodoquinoline (PubChem CID 130499521) has the molecular formula C9H4BrClIN and a molecular weight of 368.40 g/mol. Its IUPAC name is 8-bromo-2-chloro-5-iodoquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-5-iodoquinoline
PubChem CID130499521
Molecular FormulaC9H4BrClIN
Molecular Weight368.40 g/mol
Exact Mass366.83
IUPAC Name8-bromo-2-chloro-5-iodoquinoline
SMILESClc1ccc2c(I)ccc(Br)c2n1
InChIInChI=1S/C9H4BrClIN/c10-6-2-3-7(12)5-1-4-8(11)13-9(5)6/h1-4H
InChIKeyUDZWYUYAJMDNQK-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.26
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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Related Compounds

8-bromo-5-iodoquinoline
CID 14548352
3-bromo-6-chloro-2-methylpyridine
CID 14866674
3-bromo-6-chlorothieno[2,3-b]pyridine
CID 130048402
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
5-bromo-8-iodoquinoline-2-carboxylic acid
CID 127018840
8-bromo-5-chloroquinoline-2-carboxylic acid
CID 102941522
7-bromo-2,4-dichloro-8-methoxyquinoline
CID 162751085
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
2,5-diiodoquinolin-8-ol
CID 54548864
3-bromo-2-chloro-6-iodoaniline
CID 106701622
1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698
8-bromo-2-chloro-6-methoxyquinoline
CID 169499704

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-5-iodoquinoline?
The IUPAC name of 8-bromo-2-chloro-5-iodoquinoline (CID 130499521) is 8-bromo-2-chloro-5-iodoquinoline.
What is the SMILES notation for 8-bromo-2-chloro-5-iodoquinoline?
The canonical SMILES for 8-bromo-2-chloro-5-iodoquinoline is Clc1ccc2c(I)ccc(Br)c2n1.
What is the InChIKey of 8-bromo-2-chloro-5-iodoquinoline?
The InChIKey is UDZWYUYAJMDNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClIN/c10-6-2-3-7(12)5-1-4-8(11)13-9(5)6/h1-4H.
What are the key properties of 8-bromo-2-chloro-5-iodoquinoline?
8-bromo-2-chloro-5-iodoquinoline has a molecular weight of 368.40 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-5-iodoquinoline is sourced from PubChem (CID 130499521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).