6-bromo-4,7,8-trichloro-2-methylquinoline

C10H5BrCl3N — CID 107792863

IUPAC6-bromo-4,7,8-trichloro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C10H5BrCl3N/c1-4-2-7(12)5-3-6(11)8(13)9(14)10(5)15-4/h2-3H,1H3
InChIKeyVQGLFNXTXACJPI-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.27
Rot. Bonds

About 6-bromo-4,7,8-trichloro-2-methylquinoline

6-bromo-4,7,8-trichloro-2-methylquinoline (PubChem CID 107792863) has the molecular formula C10H5BrCl3N and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-bromo-4,7,8-trichloro-2-methylquinoline.

Molecular Properties

Compound Name6-bromo-4,7,8-trichloro-2-methylquinoline
PubChem CID107792863
Molecular FormulaC10H5BrCl3N
Molecular Weight325.42 g/mol
Exact Mass322.87
IUPAC Name6-bromo-4,7,8-trichloro-2-methylquinoline
SMILESCc1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1
InChIInChI=1S/C10H5BrCl3N/c1-4-2-7(12)5-3-6(11)8(13)9(14)10(5)15-4/h2-3H,1H3
InChIKeyVQGLFNXTXACJPI-UHFFFAOYSA-N
XLogP5.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,7,8-trichloro-2-methylquinoline?
The IUPAC name of 6-bromo-4,7,8-trichloro-2-methylquinoline (CID 107792863) is 6-bromo-4,7,8-trichloro-2-methylquinoline.
What is the SMILES notation for 6-bromo-4,7,8-trichloro-2-methylquinoline?
The canonical SMILES for 6-bromo-4,7,8-trichloro-2-methylquinoline is Cc1cc(Cl)c2cc(Br)c(Cl)c(Cl)c2n1.
What is the InChIKey of 6-bromo-4,7,8-trichloro-2-methylquinoline?
The InChIKey is VQGLFNXTXACJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3N/c1-4-2-7(12)5-3-6(11)8(13)9(14)10(5)15-4/h2-3H,1H3.
What are the key properties of 6-bromo-4,7,8-trichloro-2-methylquinoline?
6-bromo-4,7,8-trichloro-2-methylquinoline has a molecular weight of 325.42 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,7,8-trichloro-2-methylquinoline is sourced from PubChem (CID 107792863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).