2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine

C10H13BN2O3 — CID 89216792

IUPAC2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine
SMILESC=C1OB(c2cncc(OC)n2)OC1(C)C
InChIInChI=1S/C10H13BN2O3/c1-7-10(2,3)16-11(15-7)8-5-12-6-9(13-8)14-4/h5-6H,1H2,2-4H3
InChIKeySIVVFLYUAMGNKG-UHFFFAOYSA-N
MW220.04 g/mol
LogP0.52
Rot. Bonds2

About 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine

2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine (PubChem CID 89216792) has the molecular formula C10H13BN2O3 and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine.

Molecular Properties

Compound Name2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine
PubChem CID89216792
Molecular FormulaC10H13BN2O3
Molecular Weight220.04 g/mol
Exact Mass220.10
IUPAC Name2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine
SMILESC=C1OB(c2cncc(OC)n2)OC1(C)C
InChIInChI=1S/C10H13BN2O3/c1-7-10(2,3)16-11(15-7)8-5-12-6-9(13-8)14-4/h5-6H,1H2,2-4H3
InChIKeySIVVFLYUAMGNKG-UHFFFAOYSA-N
XLogP0.52
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine?
The IUPAC name of 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine (CID 89216792) is 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine.
What is the SMILES notation for 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine?
The canonical SMILES for 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine is C=C1OB(c2cncc(OC)n2)OC1(C)C.
What is the InChIKey of 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine?
The InChIKey is SIVVFLYUAMGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BN2O3/c1-7-10(2,3)16-11(15-7)8-5-12-6-9(13-8)14-4/h5-6H,1H2,2-4H3.
What are the key properties of 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine?
2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine has a molecular weight of 220.04 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-6-methoxypyrazine is sourced from PubChem (CID 89216792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).