2,7,8-trichloro-3-methylquinoline

C10H6Cl3N — CID 63232184

IUPAC2,7,8-trichloro-3-methylquinoline
SMILESCc1cc2ccc(Cl)c(Cl)c2nc1Cl
InChIInChI=1S/C10H6Cl3N/c1-5-4-6-2-3-7(11)8(12)9(6)14-10(5)13/h2-4H,1H3
InChIKeyJMDVROARXOWGCH-UHFFFAOYSA-N
MW246.52 g/mol
LogP4.50
Rot. Bonds

About 2,7,8-trichloro-3-methylquinoline

2,7,8-trichloro-3-methylquinoline (PubChem CID 63232184) has the molecular formula C10H6Cl3N and a molecular weight of 246.52 g/mol. Its IUPAC name is 2,7,8-trichloro-3-methylquinoline.

Molecular Properties

Compound Name2,7,8-trichloro-3-methylquinoline
PubChem CID63232184
Molecular FormulaC10H6Cl3N
Molecular Weight246.52 g/mol
Exact Mass244.96
IUPAC Name2,7,8-trichloro-3-methylquinoline
SMILESCc1cc2ccc(Cl)c(Cl)c2nc1Cl
InChIInChI=1S/C10H6Cl3N/c1-5-4-6-2-3-7(11)8(12)9(6)14-10(5)13/h2-4H,1H3
InChIKeyJMDVROARXOWGCH-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trichloro-3-methylquinoline?
The IUPAC name of 2,7,8-trichloro-3-methylquinoline (CID 63232184) is 2,7,8-trichloro-3-methylquinoline.
What is the SMILES notation for 2,7,8-trichloro-3-methylquinoline?
The canonical SMILES for 2,7,8-trichloro-3-methylquinoline is Cc1cc2ccc(Cl)c(Cl)c2nc1Cl.
What is the InChIKey of 2,7,8-trichloro-3-methylquinoline?
The InChIKey is JMDVROARXOWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N/c1-5-4-6-2-3-7(11)8(12)9(6)14-10(5)13/h2-4H,1H3.
What are the key properties of 2,7,8-trichloro-3-methylquinoline?
2,7,8-trichloro-3-methylquinoline has a molecular weight of 246.52 g/mol, XLogP of 4.50, 0 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-methylquinoline is sourced from PubChem (CID 63232184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).