5-bromo-4-chloro-2-methoxypyridine

C6H5BrClNO — CID 23133649

IUPAC5-bromo-4-chloro-2-methoxypyridine
SMILESCOc1cc(Cl)c(Br)cn1
InChIInChI=1S/C6H5BrClNO/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3
InChIKeyKTPLBYFKHPABLJ-UHFFFAOYSA-N
MW222.47 g/mol
LogP2.51
Rot. Bonds1

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

5-bromo-4-chloro-2-methoxypyridine (PubChem CID 23133649) has the molecular formula C6H5BrClNO and a molecular weight of 222.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methoxypyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methoxypyridine
PubChem CID23133649
Molecular FormulaC6H5BrClNO
Molecular Weight222.47 g/mol
Exact Mass220.92
IUPAC Name5-bromo-4-chloro-2-methoxypyridine
SMILESCOc1cc(Cl)c(Br)cn1
InChIInChI=1S/C6H5BrClNO/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3
InChIKeyKTPLBYFKHPABLJ-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methoxypyridine?
The IUPAC name of 5-bromo-4-chloro-2-methoxypyridine (CID 23133649) is 5-bromo-4-chloro-2-methoxypyridine.
What is the SMILES notation for 5-bromo-4-chloro-2-methoxypyridine?
The canonical SMILES for 5-bromo-4-chloro-2-methoxypyridine is COc1cc(Cl)c(Br)cn1.
What is the InChIKey of 5-bromo-4-chloro-2-methoxypyridine?
The InChIKey is KTPLBYFKHPABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-2-methoxypyridine?
5-bromo-4-chloro-2-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 5-bromo-4-chloro-2-methoxypyridine is sourced from PubChem (CID 23133649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).