2-bromo-5-chloro-6,8-dimethoxyquinoline

C11H9BrClNO2 — CID 102941242

IUPAC2-bromo-5-chloro-6,8-dimethoxyquinoline
SMILESCOc1cc(OC)c2nc(Br)ccc2c1Cl
InChIInChI=1S/C11H9BrClNO2/c1-15-7-5-8(16-2)11-6(10(7)13)3-4-9(12)14-11/h3-5H,1-2H3
InChIKeyNPFLFHVPPIOTKU-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-5-chloro-6,8-dimethoxyquinoline

2-bromo-5-chloro-6,8-dimethoxyquinoline (PubChem CID 102941242) has the molecular formula C11H9BrClNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is 2-bromo-5-chloro-6,8-dimethoxyquinoline.

Molecular Properties

Compound Name2-bromo-5-chloro-6,8-dimethoxyquinoline
PubChem CID102941242
Molecular FormulaC11H9BrClNO2
Molecular Weight302.56 g/mol
Exact Mass300.95
IUPAC Name2-bromo-5-chloro-6,8-dimethoxyquinoline
SMILESCOc1cc(OC)c2nc(Br)ccc2c1Cl
InChIInChI=1S/C11H9BrClNO2/c1-15-7-5-8(16-2)11-6(10(7)13)3-4-9(12)14-11/h3-5H,1-2H3
InChIKeyNPFLFHVPPIOTKU-UHFFFAOYSA-N
XLogP3.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-8-methoxyquinoline
CID 102941160
2,8-dibromo-5-chloro-6-methylquinoline
CID 102941285
5-chloro-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
CID 63232536
2-bromo-8-fluoro-5-methoxyquinoline
CID 102941272
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
CID 97181901
6-bromo-3-chloro-2,4-dimethoxyaniline
CID 58946772
5-chloro-N-ethyl-6,8-dimethoxy-3-propan-2-ylquinolin-2-amine
CID 63525424
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-6,8-dimethoxyquinoline?
The IUPAC name of 2-bromo-5-chloro-6,8-dimethoxyquinoline (CID 102941242) is 2-bromo-5-chloro-6,8-dimethoxyquinoline.
What is the SMILES notation for 2-bromo-5-chloro-6,8-dimethoxyquinoline?
The canonical SMILES for 2-bromo-5-chloro-6,8-dimethoxyquinoline is COc1cc(OC)c2nc(Br)ccc2c1Cl.
What is the InChIKey of 2-bromo-5-chloro-6,8-dimethoxyquinoline?
The InChIKey is NPFLFHVPPIOTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO2/c1-15-7-5-8(16-2)11-6(10(7)13)3-4-9(12)14-11/h3-5H,1-2H3.
What are the key properties of 2-bromo-5-chloro-6,8-dimethoxyquinoline?
2-bromo-5-chloro-6,8-dimethoxyquinoline has a molecular weight of 302.56 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-6,8-dimethoxyquinoline is sourced from PubChem (CID 102941242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).