2,3-dichloro-8-(trichloromethyl)quinoline

C10H4Cl5N — CID 174740506

IUPAC2,3-dichloro-8-(trichloromethyl)quinoline
SMILESClc1cc2cccc(C(Cl)(Cl)Cl)c2nc1Cl
InChIInChI=1S/C10H4Cl5N/c11-7-4-5-2-1-3-6(10(13,14)15)8(5)16-9(7)12/h1-4H
InChIKeyFNFNKKRQGWEYLC-UHFFFAOYSA-N
MW315.41 g/mol
LogP5.37
Rot. Bonds

About 2,3-dichloro-8-(trichloromethyl)quinoline

2,3-dichloro-8-(trichloromethyl)quinoline (PubChem CID 174740506) has the molecular formula C10H4Cl5N and a molecular weight of 315.41 g/mol. Its IUPAC name is 2,3-dichloro-8-(trichloromethyl)quinoline.

Molecular Properties

Compound Name2,3-dichloro-8-(trichloromethyl)quinoline
PubChem CID174740506
Molecular FormulaC10H4Cl5N
Molecular Weight315.41 g/mol
Exact Mass312.88
IUPAC Name2,3-dichloro-8-(trichloromethyl)quinoline
SMILESClc1cc2cccc(C(Cl)(Cl)Cl)c2nc1Cl
InChIInChI=1S/C10H4Cl5N/c11-7-4-5-2-1-3-6(10(13,14)15)8(5)16-9(7)12/h1-4H
InChIKeyFNFNKKRQGWEYLC-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.41
LogP ≤ 55.37
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 2,3-dichloro-8-(trichloromethyl)quinoline?
The IUPAC name of 2,3-dichloro-8-(trichloromethyl)quinoline (CID 174740506) is 2,3-dichloro-8-(trichloromethyl)quinoline.
What is the SMILES notation for 2,3-dichloro-8-(trichloromethyl)quinoline?
The canonical SMILES for 2,3-dichloro-8-(trichloromethyl)quinoline is Clc1cc2cccc(C(Cl)(Cl)Cl)c2nc1Cl.
What is the InChIKey of 2,3-dichloro-8-(trichloromethyl)quinoline?
The InChIKey is FNFNKKRQGWEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl5N/c11-7-4-5-2-1-3-6(10(13,14)15)8(5)16-9(7)12/h1-4H.
What are the key properties of 2,3-dichloro-8-(trichloromethyl)quinoline?
2,3-dichloro-8-(trichloromethyl)quinoline has a molecular weight of 315.41 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-8-(trichloromethyl)quinoline is sourced from PubChem (CID 174740506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).