2,7,8-trichloro-3-(chloromethyl)quinoline

C10H5Cl4N — CID 63231882

IUPAC2,7,8-trichloro-3-(chloromethyl)quinoline
SMILESClCc1cc2ccc(Cl)c(Cl)c2nc1Cl
InChIInChI=1S/C10H5Cl4N/c11-4-6-3-5-1-2-7(12)8(13)9(5)15-10(6)14/h1-3H,4H2
InChIKeyNIOAPPTWGYSVSO-UHFFFAOYSA-N
MW280.97 g/mol
LogP4.93
Rot. Bonds1

About 2,7,8-trichloro-3-(chloromethyl)quinoline

2,7,8-trichloro-3-(chloromethyl)quinoline (PubChem CID 63231882) has the molecular formula C10H5Cl4N and a molecular weight of 280.97 g/mol. Its IUPAC name is 2,7,8-trichloro-3-(chloromethyl)quinoline.

Molecular Properties

Compound Name2,7,8-trichloro-3-(chloromethyl)quinoline
PubChem CID63231882
Molecular FormulaC10H5Cl4N
Molecular Weight280.97 g/mol
Exact Mass278.92
IUPAC Name2,7,8-trichloro-3-(chloromethyl)quinoline
SMILESClCc1cc2ccc(Cl)c(Cl)c2nc1Cl
InChIInChI=1S/C10H5Cl4N/c11-4-6-3-5-1-2-7(12)8(13)9(5)15-10(6)14/h1-3H,4H2
InChIKeyNIOAPPTWGYSVSO-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.97
LogP ≤ 54.93
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 2,7,8-trichloro-3-(chloromethyl)quinoline?
The IUPAC name of 2,7,8-trichloro-3-(chloromethyl)quinoline (CID 63231882) is 2,7,8-trichloro-3-(chloromethyl)quinoline.
What is the SMILES notation for 2,7,8-trichloro-3-(chloromethyl)quinoline?
The canonical SMILES for 2,7,8-trichloro-3-(chloromethyl)quinoline is ClCc1cc2ccc(Cl)c(Cl)c2nc1Cl.
What is the InChIKey of 2,7,8-trichloro-3-(chloromethyl)quinoline?
The InChIKey is NIOAPPTWGYSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N/c11-4-6-3-5-1-2-7(12)8(13)9(5)15-10(6)14/h1-3H,4H2.
What are the key properties of 2,7,8-trichloro-3-(chloromethyl)quinoline?
2,7,8-trichloro-3-(chloromethyl)quinoline has a molecular weight of 280.97 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trichloro-3-(chloromethyl)quinoline is sourced from PubChem (CID 63231882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).