2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine

C10H13BrN2O2 — CID 145226180

IUPAC2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
SMILESCc1nc(C2OCCO2)c(C)nc1CBr
InChIInChI=1S/C10H13BrN2O2/c1-6-8(5-11)12-7(2)9(13-6)10-14-3-4-15-10/h10H,3-5H2,1-2H3
InChIKeyGZLZPOFSXQGYMS-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.03
Rot. Bonds2

About 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine

2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine (PubChem CID 145226180) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
PubChem CID145226180
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine
SMILESCc1nc(C2OCCO2)c(C)nc1CBr
InChIInChI=1S/C10H13BrN2O2/c1-6-8(5-11)12-7(2)9(13-6)10-14-3-4-15-10/h10H,3-5H2,1-2H3
InChIKeyGZLZPOFSXQGYMS-UHFFFAOYSA-N
XLogP2.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine?
The IUPAC name of 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine (CID 145226180) is 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine.
What is the SMILES notation for 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine?
The canonical SMILES for 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine is Cc1nc(C2OCCO2)c(C)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine?
The InChIKey is GZLZPOFSXQGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-8(5-11)12-7(2)9(13-6)10-14-3-4-15-10/h10H,3-5H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine?
2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine has a molecular weight of 273.13 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(1,3-dioxolan-2-yl)-3,6-dimethylpyrazine is sourced from PubChem (CID 145226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).