5-bromo-2-(dimethoxymethyl)pyridine

C8H10BrNO2 — CID 119082969

IUPAC5-bromo-2-(dimethoxymethyl)pyridine
SMILESCOC(OC)c1ccc(Br)cn1
InChIInChI=1S/C8H10BrNO2/c1-11-8(12-2)7-4-3-6(9)5-10-7/h3-5,8H,1-2H3
InChIKeyNTYUVVUBDVQXOT-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.14
Rot. Bonds3

About 5-bromo-2-(dimethoxymethyl)pyridine

5-bromo-2-(dimethoxymethyl)pyridine (PubChem CID 119082969) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-2-(dimethoxymethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(dimethoxymethyl)pyridine
PubChem CID119082969
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-2-(dimethoxymethyl)pyridine
SMILESCOC(OC)c1ccc(Br)cn1
InChIInChI=1S/C8H10BrNO2/c1-11-8(12-2)7-4-3-6(9)5-10-7/h3-5,8H,1-2H3
InChIKeyNTYUVVUBDVQXOT-UHFFFAOYSA-N
XLogP2.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethoxymethyl)pyridine?
The IUPAC name of 5-bromo-2-(dimethoxymethyl)pyridine (CID 119082969) is 5-bromo-2-(dimethoxymethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(dimethoxymethyl)pyridine?
The canonical SMILES for 5-bromo-2-(dimethoxymethyl)pyridine is COC(OC)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(dimethoxymethyl)pyridine?
The InChIKey is NTYUVVUBDVQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-11-8(12-2)7-4-3-6(9)5-10-7/h3-5,8H,1-2H3.
What are the key properties of 5-bromo-2-(dimethoxymethyl)pyridine?
5-bromo-2-(dimethoxymethyl)pyridine has a molecular weight of 232.08 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethoxymethyl)pyridine is sourced from PubChem (CID 119082969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).