2-chloro-3-(chloromethyl)quinoline

C10H7Cl2N — CID 2063384

IUPAC2-chloro-3-(chloromethyl)quinoline
SMILESClCc1cc2ccccc2nc1Cl
InChIInChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2
InChIKeyUOIJHUIOTFDGNA-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.63
Rot. Bonds1

About 2-chloro-3-(chloromethyl)quinoline

2-chloro-3-(chloromethyl)quinoline (PubChem CID 2063384) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)quinoline
PubChem CID2063384
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name2-chloro-3-(chloromethyl)quinoline
SMILESClCc1cc2ccccc2nc1Cl
InChIInChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2
InChIKeyUOIJHUIOTFDGNA-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)quinoline?
The IUPAC name of 2-chloro-3-(chloromethyl)quinoline (CID 2063384) is 2-chloro-3-(chloromethyl)quinoline.
What is the SMILES notation for 2-chloro-3-(chloromethyl)quinoline?
The canonical SMILES for 2-chloro-3-(chloromethyl)quinoline is ClCc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-(chloromethyl)quinoline?
The InChIKey is UOIJHUIOTFDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H,6H2.
What are the key properties of 2-chloro-3-(chloromethyl)quinoline?
2-chloro-3-(chloromethyl)quinoline has a molecular weight of 212.08 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)quinoline is sourced from PubChem (CID 2063384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).