5-bromo-2-chloro-4-(methoxymethyl)pyridine

C7H7BrClNO — CID 142612458

IUPAC5-bromo-2-chloro-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)ncc1Br
InChIInChI=1S/C7H7BrClNO/c1-11-4-5-2-7(9)10-3-6(5)8/h2-3H,4H2,1H3
InChIKeyWAZJTKACMUDDFM-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.64
Rot. Bonds2

About 5-bromo-2-chloro-4-(methoxymethyl)pyridine

5-bromo-2-chloro-4-(methoxymethyl)pyridine (PubChem CID 142612458) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(methoxymethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(methoxymethyl)pyridine
PubChem CID142612458
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name5-bromo-2-chloro-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Cl)ncc1Br
InChIInChI=1S/C7H7BrClNO/c1-11-4-5-2-7(9)10-3-6(5)8/h2-3H,4H2,1H3
InChIKeyWAZJTKACMUDDFM-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.64
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 5-bromo-2-chloro-4-(methoxymethyl)pyridine?
The IUPAC name of 5-bromo-2-chloro-4-(methoxymethyl)pyridine (CID 142612458) is 5-bromo-2-chloro-4-(methoxymethyl)pyridine.
What is the SMILES notation for 5-bromo-2-chloro-4-(methoxymethyl)pyridine?
The canonical SMILES for 5-bromo-2-chloro-4-(methoxymethyl)pyridine is COCc1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(methoxymethyl)pyridine?
The InChIKey is WAZJTKACMUDDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-11-4-5-2-7(9)10-3-6(5)8/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-2-chloro-4-(methoxymethyl)pyridine?
5-bromo-2-chloro-4-(methoxymethyl)pyridine has a molecular weight of 236.50 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(methoxymethyl)pyridine is sourced from PubChem (CID 142612458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).