7-bromo-2,4-dichloro-6-methoxyquinoline

C10H6BrCl2NO — CID 171506609

IUPAC7-bromo-2,4-dichloro-6-methoxyquinoline
SMILESCOc1cc2c(Cl)cc(Cl)nc2cc1Br
InChIInChI=1S/C10H6BrCl2NO/c1-15-9-2-5-7(12)4-10(13)14-8(5)3-6(9)11/h2-4H,1H3
InChIKeyCFDRVMBTSAQICD-UHFFFAOYSA-N
MW306.97 g/mol
LogP4.31
Rot. Bonds1

About 7-bromo-2,4-dichloro-6-methoxyquinoline

7-bromo-2,4-dichloro-6-methoxyquinoline (PubChem CID 171506609) has the molecular formula C10H6BrCl2NO and a molecular weight of 306.97 g/mol. Its IUPAC name is 7-bromo-2,4-dichloro-6-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-2,4-dichloro-6-methoxyquinoline
PubChem CID171506609
Molecular FormulaC10H6BrCl2NO
Molecular Weight306.97 g/mol
Exact Mass304.90
IUPAC Name7-bromo-2,4-dichloro-6-methoxyquinoline
SMILESCOc1cc2c(Cl)cc(Cl)nc2cc1Br
InChIInChI=1S/C10H6BrCl2NO/c1-15-9-2-5-7(12)4-10(13)14-8(5)3-6(9)11/h2-4H,1H3
InChIKeyCFDRVMBTSAQICD-UHFFFAOYSA-N
XLogP4.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.97
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-bromo-2,4-dichloro-6-methoxyquinoline?
The IUPAC name of 7-bromo-2,4-dichloro-6-methoxyquinoline (CID 171506609) is 7-bromo-2,4-dichloro-6-methoxyquinoline.
What is the SMILES notation for 7-bromo-2,4-dichloro-6-methoxyquinoline?
The canonical SMILES for 7-bromo-2,4-dichloro-6-methoxyquinoline is COc1cc2c(Cl)cc(Cl)nc2cc1Br.
What is the InChIKey of 7-bromo-2,4-dichloro-6-methoxyquinoline?
The InChIKey is CFDRVMBTSAQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2NO/c1-15-9-2-5-7(12)4-10(13)14-8(5)3-6(9)11/h2-4H,1H3.
What are the key properties of 7-bromo-2,4-dichloro-6-methoxyquinoline?
7-bromo-2,4-dichloro-6-methoxyquinoline has a molecular weight of 306.97 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,4-dichloro-6-methoxyquinoline is sourced from PubChem (CID 171506609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).