2-bromo-5,7-dichloro-4-methylquinoline

C10H6BrCl2N — CID 82581017

IUPAC2-bromo-5,7-dichloro-4-methylquinoline
SMILESCc1cc(Br)nc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6BrCl2N/c1-5-2-9(11)14-8-4-6(12)3-7(13)10(5)8/h2-4H,1H3
InChIKeyWXOXXVFZSCYXSL-UHFFFAOYSA-N
MW290.98 g/mol
LogP4.61
Rot. Bonds

About 2-bromo-5,7-dichloro-4-methylquinoline

2-bromo-5,7-dichloro-4-methylquinoline (PubChem CID 82581017) has the molecular formula C10H6BrCl2N and a molecular weight of 290.98 g/mol. Its IUPAC name is 2-bromo-5,7-dichloro-4-methylquinoline.

Molecular Properties

Compound Name2-bromo-5,7-dichloro-4-methylquinoline
PubChem CID82581017
Molecular FormulaC10H6BrCl2N
Molecular Weight290.98 g/mol
Exact Mass288.91
IUPAC Name2-bromo-5,7-dichloro-4-methylquinoline
SMILESCc1cc(Br)nc2cc(Cl)cc(Cl)c12
InChIInChI=1S/C10H6BrCl2N/c1-5-2-9(11)14-8-4-6(12)3-7(13)10(5)8/h2-4H,1H3
InChIKeyWXOXXVFZSCYXSL-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.98
LogP ≤ 54.61
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-bromo-5,7-dichloro-4-methylquinoline?
The IUPAC name of 2-bromo-5,7-dichloro-4-methylquinoline (CID 82581017) is 2-bromo-5,7-dichloro-4-methylquinoline.
What is the SMILES notation for 2-bromo-5,7-dichloro-4-methylquinoline?
The canonical SMILES for 2-bromo-5,7-dichloro-4-methylquinoline is Cc1cc(Br)nc2cc(Cl)cc(Cl)c12.
What is the InChIKey of 2-bromo-5,7-dichloro-4-methylquinoline?
The InChIKey is WXOXXVFZSCYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N/c1-5-2-9(11)14-8-4-6(12)3-7(13)10(5)8/h2-4H,1H3.
What are the key properties of 2-bromo-5,7-dichloro-4-methylquinoline?
2-bromo-5,7-dichloro-4-methylquinoline has a molecular weight of 290.98 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,7-dichloro-4-methylquinoline is sourced from PubChem (CID 82581017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).