8-chloro-2-(dibromomethyl)quinoline

C10H6Br2ClN — CID 4064523

IUPAC8-chloro-2-(dibromomethyl)quinoline
SMILESClc1cccc2ccc(C(Br)Br)nc12
InChIInChI=1S/C10H6Br2ClN/c11-10(12)8-5-4-6-2-1-3-7(13)9(6)14-8/h1-5,10H
InChIKeyRHICDDLHSXEANF-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.68
Rot. Bonds1

About 8-chloro-2-(dibromomethyl)quinoline

8-chloro-2-(dibromomethyl)quinoline (PubChem CID 4064523) has the molecular formula C10H6Br2ClN and a molecular weight of 335.43 g/mol. Its IUPAC name is 8-chloro-2-(dibromomethyl)quinoline.

Molecular Properties

Compound Name8-chloro-2-(dibromomethyl)quinoline
PubChem CID4064523
Molecular FormulaC10H6Br2ClN
Molecular Weight335.43 g/mol
Exact Mass332.86
IUPAC Name8-chloro-2-(dibromomethyl)quinoline
SMILESClc1cccc2ccc(C(Br)Br)nc12
InChIInChI=1S/C10H6Br2ClN/c11-10(12)8-5-4-6-2-1-3-7(13)9(6)14-8/h1-5,10H
InChIKeyRHICDDLHSXEANF-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(dibromomethyl)quinoline?
The IUPAC name of 8-chloro-2-(dibromomethyl)quinoline (CID 4064523) is 8-chloro-2-(dibromomethyl)quinoline.
What is the SMILES notation for 8-chloro-2-(dibromomethyl)quinoline?
The canonical SMILES for 8-chloro-2-(dibromomethyl)quinoline is Clc1cccc2ccc(C(Br)Br)nc12.
What is the InChIKey of 8-chloro-2-(dibromomethyl)quinoline?
The InChIKey is RHICDDLHSXEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClN/c11-10(12)8-5-4-6-2-1-3-7(13)9(6)14-8/h1-5,10H.
What are the key properties of 8-chloro-2-(dibromomethyl)quinoline?
8-chloro-2-(dibromomethyl)quinoline has a molecular weight of 335.43 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(dibromomethyl)quinoline is sourced from PubChem (CID 4064523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).