3,7-dichloro-6-(trichloromethyl)quinoline

C10H4Cl5N — CID 70464170

IUPAC3,7-dichloro-6-(trichloromethyl)quinoline
SMILESClc1cnc2cc(Cl)c(C(Cl)(Cl)Cl)cc2c1
InChIInChI=1S/C10H4Cl5N/c11-6-1-5-2-7(10(13,14)15)8(12)3-9(5)16-4-6/h1-4H
InChIKeyQLIWNWBRJFWRCW-UHFFFAOYSA-N
MW315.41 g/mol
LogP5.37
Rot. Bonds

About 3,7-dichloro-6-(trichloromethyl)quinoline

3,7-dichloro-6-(trichloromethyl)quinoline (PubChem CID 70464170) has the molecular formula C10H4Cl5N and a molecular weight of 315.41 g/mol. Its IUPAC name is 3,7-dichloro-6-(trichloromethyl)quinoline.

Molecular Properties

Compound Name3,7-dichloro-6-(trichloromethyl)quinoline
PubChem CID70464170
Molecular FormulaC10H4Cl5N
Molecular Weight315.41 g/mol
Exact Mass312.88
IUPAC Name3,7-dichloro-6-(trichloromethyl)quinoline
SMILESClc1cnc2cc(Cl)c(C(Cl)(Cl)Cl)cc2c1
InChIInChI=1S/C10H4Cl5N/c11-6-1-5-2-7(10(13,14)15)8(12)3-9(5)16-4-6/h1-4H
InChIKeyQLIWNWBRJFWRCW-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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-6-(trichloromethyl)quinoline?
The IUPAC name of 3,7-dichloro-6-(trichloromethyl)quinoline (CID 70464170) is 3,7-dichloro-6-(trichloromethyl)quinoline.
What is the SMILES notation for 3,7-dichloro-6-(trichloromethyl)quinoline?
The canonical SMILES for 3,7-dichloro-6-(trichloromethyl)quinoline is Clc1cnc2cc(Cl)c(C(Cl)(Cl)Cl)cc2c1.
What is the InChIKey of 3,7-dichloro-6-(trichloromethyl)quinoline?
The InChIKey is QLIWNWBRJFWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl5N/c11-6-1-5-2-7(10(13,14)15)8(12)3-9(5)16-4-6/h1-4H.
What are the key properties of 3,7-dichloro-6-(trichloromethyl)quinoline?
3,7-dichloro-6-(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 3,7-dichloro-6-(trichloromethyl)quinoline is sourced from PubChem (CID 70464170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).