8-bromo-2-chloro-6-methoxyquinoline

C10H7BrClNO — CID 169499704

IUPAC8-bromo-2-chloro-6-methoxyquinoline
SMILESCOc1cc(Br)c2nc(Cl)ccc2c1
InChIInChI=1S/C10H7BrClNO/c1-14-7-4-6-2-3-9(12)13-10(6)8(11)5-7/h2-5H,1H3
InChIKeyJVDCWAPIHUYGCF-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 8-bromo-2-chloro-6-methoxyquinoline

8-bromo-2-chloro-6-methoxyquinoline (PubChem CID 169499704) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 8-bromo-2-chloro-6-methoxyquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-6-methoxyquinoline
PubChem CID169499704
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name8-bromo-2-chloro-6-methoxyquinoline
SMILESCOc1cc(Br)c2nc(Cl)ccc2c1
InChIInChI=1S/C10H7BrClNO/c1-14-7-4-6-2-3-9(12)13-10(6)8(11)5-7/h2-5H,1H3
InChIKeyJVDCWAPIHUYGCF-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.66
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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Related Compounds

4-N-(2-chloro-6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 90672251
8-bromo-2-chloro-6-nitroquinoline
CID 170331788
8-bromo-2-chloro-7-methoxy-1,6-naphthyridine
CID 139536254
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
(8-bromo-3-hydroxy-6-methoxyquinolin-2-yl)methanediol
CID 91090670
3-chloro-7-methoxyisoquinoline
CID 53425565
2,6-dibromo-4-methoxypyridine
CID 10901569
3-[(2-bromo-4-methoxyphenoxy)methyl]-2,6-dichloropyridine
CID 106994652
8-bromo-2-chloro-3-methoxyquinoline
CID 88869143
7-bromo-2,4-dichloro-8-methoxyquinoline
CID 162751085
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-6-methoxyquinoline?
The IUPAC name of 8-bromo-2-chloro-6-methoxyquinoline (CID 169499704) is 8-bromo-2-chloro-6-methoxyquinoline.
What is the SMILES notation for 8-bromo-2-chloro-6-methoxyquinoline?
The canonical SMILES for 8-bromo-2-chloro-6-methoxyquinoline is COc1cc(Br)c2nc(Cl)ccc2c1.
What is the InChIKey of 8-bromo-2-chloro-6-methoxyquinoline?
The InChIKey is JVDCWAPIHUYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-7-4-6-2-3-9(12)13-10(6)8(11)5-7/h2-5H,1H3.
What are the key properties of 8-bromo-2-chloro-6-methoxyquinoline?
8-bromo-2-chloro-6-methoxyquinoline has a molecular weight of 272.53 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-6-methoxyquinoline is sourced from PubChem (CID 169499704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).