4-bromo-2-chloro-5-methoxypyridine

C6H5BrClNO — CID 46738706

IUPAC4-bromo-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1Br
InChIInChI=1S/C6H5BrClNO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3
InChIKeyROFQXQOLLAPAOR-UHFFFAOYSA-N
MW222.47 g/mol
LogP2.51
Rot. Bonds1

About 4-bromo-2-chloro-5-methoxypyridine

4-bromo-2-chloro-5-methoxypyridine (PubChem CID 46738706) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-methoxypyridine.

Molecular Properties

Compound Name4-bromo-2-chloro-5-methoxypyridine
PubChem CID46738706
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name4-bromo-2-chloro-5-methoxypyridine
SMILESCOc1cnc(Cl)cc1Br
InChIInChI=1S/C6H5BrClNO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3
InChIKeyROFQXQOLLAPAOR-UHFFFAOYSA-N
XLogP2.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.47
LogP ≤ 52.51
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 4-bromo-2-chloro-5-methoxypyridine?
The IUPAC name of 4-bromo-2-chloro-5-methoxypyridine (CID 46738706) is 4-bromo-2-chloro-5-methoxypyridine.
What is the SMILES notation for 4-bromo-2-chloro-5-methoxypyridine?
The canonical SMILES for 4-bromo-2-chloro-5-methoxypyridine is COc1cnc(Cl)cc1Br.
What is the InChIKey of 4-bromo-2-chloro-5-methoxypyridine?
The InChIKey is ROFQXQOLLAPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3.
What are the key properties of 4-bromo-2-chloro-5-methoxypyridine?
4-bromo-2-chloro-5-methoxypyridine has a molecular weight of 222.47 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-methoxypyridine is sourced from PubChem (CID 46738706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).