4-chloro-2-(trichloromethyl)quinoline

C10H5Cl4N — CID 618540

IUPAC4-chloro-2-(trichloromethyl)quinoline
SMILESClc1cc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C10H5Cl4N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyAAAIMZMBCBBTQL-UHFFFAOYSA-N
MW280.97 g/mol
LogP4.71
Rot. Bonds

About 4-chloro-2-(trichloromethyl)quinoline

4-chloro-2-(trichloromethyl)quinoline (PubChem CID 618540) has the molecular formula C10H5Cl4N and a molecular weight of 280.97 g/mol. Its IUPAC name is 4-chloro-2-(trichloromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(trichloromethyl)quinoline
PubChem CID618540
Molecular FormulaC10H5Cl4N
Molecular Weight280.97 g/mol
Exact Mass278.92
IUPAC Name4-chloro-2-(trichloromethyl)quinoline
SMILESClc1cc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C10H5Cl4N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyAAAIMZMBCBBTQL-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.97
LogP ≤ 54.71
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 4-chloro-2-(trichloromethyl)quinoline?
The IUPAC name of 4-chloro-2-(trichloromethyl)quinoline (CID 618540) is 4-chloro-2-(trichloromethyl)quinoline.
What is the SMILES notation for 4-chloro-2-(trichloromethyl)quinoline?
The canonical SMILES for 4-chloro-2-(trichloromethyl)quinoline is Clc1cc(C(Cl)(Cl)Cl)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(trichloromethyl)quinoline?
The InChIKey is AAAIMZMBCBBTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-chloro-2-(trichloromethyl)quinoline?
4-chloro-2-(trichloromethyl)quinoline has a molecular weight of 280.97 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trichloromethyl)quinoline is sourced from PubChem (CID 618540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).