6,7-dichloro-2-(chloromethyl)quinoline

C10H6Cl3N — CID 22241391

IUPAC6,7-dichloro-2-(chloromethyl)quinoline
SMILESClCc1ccc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H6Cl3N/c11-5-7-2-1-6-3-8(12)9(13)4-10(6)14-7/h1-4H,5H2
InChIKeyJUKPQDIFUMAWTD-UHFFFAOYSA-N
MW246.52 g/mol
LogP4.28
Rot. Bonds1

About 6,7-dichloro-2-(chloromethyl)quinoline

6,7-dichloro-2-(chloromethyl)quinoline (PubChem CID 22241391) has the molecular formula C10H6Cl3N and a molecular weight of 246.52 g/mol. Its IUPAC name is 6,7-dichloro-2-(chloromethyl)quinoline.

Molecular Properties

Compound Name6,7-dichloro-2-(chloromethyl)quinoline
PubChem CID22241391
Molecular FormulaC10H6Cl3N
Molecular Weight246.52 g/mol
Exact Mass244.96
IUPAC Name6,7-dichloro-2-(chloromethyl)quinoline
SMILESClCc1ccc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C10H6Cl3N/c11-5-7-2-1-6-3-8(12)9(13)4-10(6)14-7/h1-4H,5H2
InChIKeyJUKPQDIFUMAWTD-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-2-(chloromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6,7-dichloroquinolin-2-yl)-2-methylpropanenitrile
CID 82246749
2-(bromomethyl)-7-chloro-6-methylquinoline
CID 124706884
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
2-(bromomethyl)-7-chloroquinoline
CID 10244160
6-chloro-2-(fluoromethyl)quinoline
CID 162400997
6-(chloromethyl)-2-fluoropyridin-3-ol
CID 130777940
2-chloro-6-(chloromethyl)pyridine
CID 15574440
7-chloro-2-(2-methylsulfanylpropyl)quinoline
CID 143861620
7-chloro-2-(cyclohexa-1,3-dien-1-yloxymethyl)-6-fluoroquinoline
CID 142666459
2-ethyl-7-fluoroquinoline
CID 118449779
6-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 130881025
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(chloromethyl)quinoline?
The IUPAC name of 6,7-dichloro-2-(chloromethyl)quinoline (CID 22241391) is 6,7-dichloro-2-(chloromethyl)quinoline.
What is the SMILES notation for 6,7-dichloro-2-(chloromethyl)quinoline?
The canonical SMILES for 6,7-dichloro-2-(chloromethyl)quinoline is ClCc1ccc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 6,7-dichloro-2-(chloromethyl)quinoline?
The InChIKey is JUKPQDIFUMAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N/c11-5-7-2-1-6-3-8(12)9(13)4-10(6)14-7/h1-4H,5H2.
What are the key properties of 6,7-dichloro-2-(chloromethyl)quinoline?
6,7-dichloro-2-(chloromethyl)quinoline has a molecular weight of 246.52 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(chloromethyl)quinoline is sourced from PubChem (CID 22241391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).