2-bromo-5-(methoxymethyl)pyridine

C7H8BrNO — CID 53385521

IUPAC2-bromo-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKeyVYADQLKEISKNDT-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.99
Rot. Bonds2

About 2-bromo-5-(methoxymethyl)pyridine

2-bromo-5-(methoxymethyl)pyridine (PubChem CID 53385521) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-5-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(methoxymethyl)pyridine
PubChem CID53385521
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-5-(methoxymethyl)pyridine
SMILESCOCc1ccc(Br)nc1
InChIInChI=1S/C7H8BrNO/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3
InChIKeyVYADQLKEISKNDT-UHFFFAOYSA-N
XLogP1.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.99
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 2-bromo-5-(methoxymethyl)pyridine?
The IUPAC name of 2-bromo-5-(methoxymethyl)pyridine (CID 53385521) is 2-bromo-5-(methoxymethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(methoxymethyl)pyridine?
The canonical SMILES for 2-bromo-5-(methoxymethyl)pyridine is COCc1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-(methoxymethyl)pyridine?
The InChIKey is VYADQLKEISKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-5-(methoxymethyl)pyridine?
2-bromo-5-(methoxymethyl)pyridine has a molecular weight of 202.05 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methoxymethyl)pyridine is sourced from PubChem (CID 53385521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).