2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde

C10H13BrN2O2 — CID 141266456

IUPAC2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde
SMILESCc1nc(C)c(COC(Br)C=O)nc1C
InChIInChI=1S/C10H13BrN2O2/c1-6-7(2)13-9(8(3)12-6)5-15-10(11)4-14/h4,10H,5H2,1-3H3
InChIKeyRBKZIPJIPKZEME-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.84
Rot. Bonds4

About 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde

2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde (PubChem CID 141266456) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde
PubChem CID141266456
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde
SMILESCc1nc(C)c(COC(Br)C=O)nc1C
InChIInChI=1S/C10H13BrN2O2/c1-6-7(2)13-9(8(3)12-6)5-15-10(11)4-14/h4,10H,5H2,1-3H3
InChIKeyRBKZIPJIPKZEME-UHFFFAOYSA-N
XLogP1.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylacetate-3,5,6-trimethylpyrazine
CID 85138582
(3,5,6-Trimethylpyrazin-2-yl)methyl 2-bromoacetate
CID 141229872
2,5-Bis(ethoxymethyl)-3,6-dimethylpyrazine
CID 141337777
(3,5,6-trimethyl(115N)pyrazin-2-yl)methyl acetate
CID 10420180

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde?
The IUPAC name of 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde (CID 141266456) is 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde.
What is the SMILES notation for 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde?
The canonical SMILES for 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde is Cc1nc(C)c(COC(Br)C=O)nc1C.
What is the InChIKey of 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde?
The InChIKey is RBKZIPJIPKZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-7(2)13-9(8(3)12-6)5-15-10(11)4-14/h4,10H,5H2,1-3H3.
What are the key properties of 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde?
2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde has a molecular weight of 273.13 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]acetaldehyde is sourced from PubChem (CID 141266456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).