2,3-dibromo-4-(methoxymethyl)pyridine

C7H7Br2NO — CID 86647962

IUPAC2,3-dibromo-4-(methoxymethyl)pyridine
SMILESCOCc1ccnc(Br)c1Br
InChIInChI=1S/C7H7Br2NO/c1-11-4-5-2-3-10-7(9)6(5)8/h2-3H,4H2,1H3
InChIKeyZFHVPCMBCHVIRO-UHFFFAOYSA-N
MW280.95 g/mol
LogP2.75
Rot. Bonds2

About 2,3-dibromo-4-(methoxymethyl)pyridine

2,3-dibromo-4-(methoxymethyl)pyridine (PubChem CID 86647962) has the molecular formula C7H7Br2NO and a molecular weight of 280.95 g/mol. Its IUPAC name is 2,3-dibromo-4-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2,3-dibromo-4-(methoxymethyl)pyridine
PubChem CID86647962
Molecular FormulaC7H7Br2NO
Molecular Weight280.95 g/mol
Exact Mass278.89
IUPAC Name2,3-dibromo-4-(methoxymethyl)pyridine
SMILESCOCc1ccnc(Br)c1Br
InChIInChI=1S/C7H7Br2NO/c1-11-4-5-2-3-10-7(9)6(5)8/h2-3H,4H2,1H3
InChIKeyZFHVPCMBCHVIRO-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.95
LogP ≤ 52.75
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 2,3-dibromo-4-(methoxymethyl)pyridine?
The IUPAC name of 2,3-dibromo-4-(methoxymethyl)pyridine (CID 86647962) is 2,3-dibromo-4-(methoxymethyl)pyridine.
What is the SMILES notation for 2,3-dibromo-4-(methoxymethyl)pyridine?
The canonical SMILES for 2,3-dibromo-4-(methoxymethyl)pyridine is COCc1ccnc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4-(methoxymethyl)pyridine?
The InChIKey is ZFHVPCMBCHVIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO/c1-11-4-5-2-3-10-7(9)6(5)8/h2-3H,4H2,1H3.
What are the key properties of 2,3-dibromo-4-(methoxymethyl)pyridine?
2,3-dibromo-4-(methoxymethyl)pyridine has a molecular weight of 280.95 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-(methoxymethyl)pyridine is sourced from PubChem (CID 86647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).