3-methoxy-1-methylpyridin-2-one;tribromoborane

C7H9BBr3NO2 — CID 91144630

IUPAC3-methoxy-1-methylpyridin-2-one;tribromoborane
SMILESBrB(Br)Br.COc1cccn(C)c1=O
InChIInChI=1S/C7H9NO2.BBr3/c1-8-5-3-4-6(10-2)7(8)9;2-1(3)4/h3-5H,1-2H3;
InChIKeyRYASHXBTLDFCIX-UHFFFAOYSA-N
MW389.68 g/mol
LogP2.55
Rot. Bonds1

About 3-methoxy-1-methylpyridin-2-one;tribromoborane

3-methoxy-1-methylpyridin-2-one;tribromoborane (PubChem CID 91144630) has the molecular formula C7H9BBr3NO2 and a molecular weight of 389.68 g/mol. Its IUPAC name is 3-methoxy-1-methylpyridin-2-one;tribromoborane.

Molecular Properties

Compound Name3-methoxy-1-methylpyridin-2-one;tribromoborane
PubChem CID91144630
Molecular FormulaC7H9BBr3NO2
Molecular Weight389.68 g/mol
Exact Mass386.83
IUPAC Name3-methoxy-1-methylpyridin-2-one;tribromoborane
SMILESBrB(Br)Br.COc1cccn(C)c1=O
InChIInChI=1S/C7H9NO2.BBr3/c1-8-5-3-4-6(10-2)7(8)9;2-1(3)4/h3-5H,1-2H3;
InChIKeyRYASHXBTLDFCIX-UHFFFAOYSA-N
XLogP2.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.68
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyridin-2-one;tribromoborane?
The IUPAC name of 3-methoxy-1-methylpyridin-2-one;tribromoborane (CID 91144630) is 3-methoxy-1-methylpyridin-2-one;tribromoborane.
What is the SMILES notation for 3-methoxy-1-methylpyridin-2-one;tribromoborane?
The canonical SMILES for 3-methoxy-1-methylpyridin-2-one;tribromoborane is BrB(Br)Br.COc1cccn(C)c1=O.
What is the InChIKey of 3-methoxy-1-methylpyridin-2-one;tribromoborane?
The InChIKey is RYASHXBTLDFCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.BBr3/c1-8-5-3-4-6(10-2)7(8)9;2-1(3)4/h3-5H,1-2H3;.
What are the key properties of 3-methoxy-1-methylpyridin-2-one;tribromoborane?
3-methoxy-1-methylpyridin-2-one;tribromoborane has a molecular weight of 389.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyridin-2-one;tribromoborane is sourced from PubChem (CID 91144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).