3-bromo-2-methoxypyridine

C6H6BrNO — CID 12533390

IUPAC3-bromo-2-methoxypyridine
SMILESCOc1ncccc1Br
InChIInChI=1S/C6H6BrNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyPORGLLGXCAQORO-UHFFFAOYSA-N
MW188.02 g/mol
LogP1.85
Rot. Bonds1

About 3-bromo-2-methoxypyridine

3-bromo-2-methoxypyridine (PubChem CID 12533390) has the molecular formula C6H6BrNO and a molecular weight of 188.02 g/mol. Its IUPAC name is 3-bromo-2-methoxypyridine.

Molecular Properties

Compound Name3-bromo-2-methoxypyridine
PubChem CID12533390
Molecular FormulaC6H6BrNO
Molecular Weight188.02 g/mol
Exact Mass186.96
IUPAC Name3-bromo-2-methoxypyridine
SMILESCOc1ncccc1Br
InChIInChI=1S/C6H6BrNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyPORGLLGXCAQORO-UHFFFAOYSA-N
XLogP1.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.02
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxypyridine?
The IUPAC name of 3-bromo-2-methoxypyridine (CID 12533390) is 3-bromo-2-methoxypyridine.
What is the SMILES notation for 3-bromo-2-methoxypyridine?
The canonical SMILES for 3-bromo-2-methoxypyridine is COc1ncccc1Br.
What is the InChIKey of 3-bromo-2-methoxypyridine?
The InChIKey is PORGLLGXCAQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3.
What are the key properties of 3-bromo-2-methoxypyridine?
3-bromo-2-methoxypyridine has a molecular weight of 188.02 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxypyridine is sourced from PubChem (CID 12533390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).