2-(chloromethyl)quinoline

C10H8ClN — CID 20394

IUPAC2-(chloromethyl)quinoline
SMILESClCc1ccc2ccccc2n1
InChIInChI=1S/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyDDEAEWMDOSXKBX-UHFFFAOYSA-N
MW177.63 g/mol
LogP2.97
Rot. Bonds1

About 2-(chloromethyl)quinoline

2-(chloromethyl)quinoline (PubChem CID 20394) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-(chloromethyl)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)quinoline
PubChem CID20394
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name2-(chloromethyl)quinoline
SMILESClCc1ccc2ccccc2n1
InChIInChI=1S/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKeyDDEAEWMDOSXKBX-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 52.97
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 2-(chloromethyl)quinoline?
The IUPAC name of 2-(chloromethyl)quinoline (CID 20394) is 2-(chloromethyl)quinoline.
What is the SMILES notation for 2-(chloromethyl)quinoline?
The canonical SMILES for 2-(chloromethyl)quinoline is ClCc1ccc2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)quinoline?
The InChIKey is DDEAEWMDOSXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)quinoline?
2-(chloromethyl)quinoline has a molecular weight of 177.63 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)quinoline is sourced from PubChem (CID 20394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).