8-bromo-2-chloro-3-methoxyquinoline

C10H7BrClNO — CID 88869143

IUPAC8-bromo-2-chloro-3-methoxyquinoline
SMILESCOc1cc2cccc(Br)c2nc1Cl
InChIInChI=1S/C10H7BrClNO/c1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-5H,1H3
InChIKeyBTWMSLKCTQGTNJ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.66
Rot. Bonds1

About 8-bromo-2-chloro-3-methoxyquinoline

8-bromo-2-chloro-3-methoxyquinoline (PubChem CID 88869143) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-methoxyquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-3-methoxyquinoline
PubChem CID88869143
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name8-bromo-2-chloro-3-methoxyquinoline
SMILESCOc1cc2cccc(Br)c2nc1Cl
InChIInChI=1S/C10H7BrClNO/c1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-5H,1H3
InChIKeyBTWMSLKCTQGTNJ-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

2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675
8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
CID 160951827
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
3-bromo-8-methoxyquinolin-2-amine
CID 97181839
8-bromo-2,3-dimethylquinoline
CID 11402096
8-bromo-3-tert-butylquinolin-2-amine
CID 63382033
2-chloro-8-fluoro-3-methoxyquinoline;N-[(2-chloro-8-fluoroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 161227326
(NE,R)-N-[(8-bromo-2-chloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 87146580
8-bromo-2-(2-methoxypropan-2-yl)quinolin-3-ol
CID 165487257
9-bromo-2-chloropyrimido[4,5-b]quinoline
CID 84644107
8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline
CID 158822791
8-bromo-2-chloro-6-methoxyquinoline
CID 169499704

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-3-methoxyquinoline?
The IUPAC name of 8-bromo-2-chloro-3-methoxyquinoline (CID 88869143) is 8-bromo-2-chloro-3-methoxyquinoline.
What is the SMILES notation for 8-bromo-2-chloro-3-methoxyquinoline?
The canonical SMILES for 8-bromo-2-chloro-3-methoxyquinoline is COc1cc2cccc(Br)c2nc1Cl.
What is the InChIKey of 8-bromo-2-chloro-3-methoxyquinoline?
The InChIKey is BTWMSLKCTQGTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-14-8-5-6-3-2-4-7(11)9(6)13-10(8)12/h2-5H,1H3.
What are the key properties of 8-bromo-2-chloro-3-methoxyquinoline?
8-bromo-2-chloro-3-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-3-methoxyquinoline is sourced from PubChem (CID 88869143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).