5-bromo-3-methoxypyrazine-2-carbaldehyde

C6H5BrN2O2 — CID 139415839

IUPAC5-bromo-3-methoxypyrazine-2-carbaldehyde
SMILESCOc1nc(Br)cnc1C=O
InChIInChI=1S/C6H5BrN2O2/c1-11-6-4(3-10)8-2-5(7)9-6/h2-3H,1H3
InChIKeyZIMREOLNVRMGST-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.06
Rot. Bonds2

About 5-bromo-3-methoxypyrazine-2-carbaldehyde

5-bromo-3-methoxypyrazine-2-carbaldehyde (PubChem CID 139415839) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is 5-bromo-3-methoxypyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-methoxypyrazine-2-carbaldehyde
PubChem CID139415839
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name5-bromo-3-methoxypyrazine-2-carbaldehyde
SMILESCOc1nc(Br)cnc1C=O
InChIInChI=1S/C6H5BrN2O2/c1-11-6-4(3-10)8-2-5(7)9-6/h2-3H,1H3
InChIKeyZIMREOLNVRMGST-UHFFFAOYSA-N
XLogP1.06
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-bromo-3-methoxypyrazin-2-yl)methyl formate
CID 175376021
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
3-amino-5-methoxypyrazine-2-carbaldehyde;methanol
CID 176552920
3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde
CID 150294147
5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
CID 176871253
3,5-bis[(2-methylpropan-2-yl)oxy]pyrazine-2-carbaldehyde
CID 86040616
N-[2-[(5-bromo-3-methoxypyrazin-2-yl)amino]ethyl]acetamide
CID 156822535
2-[(3S)-3-[(5-bromo-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethenone
CID 175417525
CID 156813524
CID 156813524
5-fluoro-2-methoxypyrimidine-4-carbaldehyde
CID 174555446
5-iodo-3-methoxypyridine-2-carbaldehyde
CID 130880961
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxypyrazine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-methoxypyrazine-2-carbaldehyde (CID 139415839) is 5-bromo-3-methoxypyrazine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-methoxypyrazine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-methoxypyrazine-2-carbaldehyde is COc1nc(Br)cnc1C=O.
What is the InChIKey of 5-bromo-3-methoxypyrazine-2-carbaldehyde?
The InChIKey is ZIMREOLNVRMGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c1-11-6-4(3-10)8-2-5(7)9-6/h2-3H,1H3.
What are the key properties of 5-bromo-3-methoxypyrazine-2-carbaldehyde?
5-bromo-3-methoxypyrazine-2-carbaldehyde has a molecular weight of 217.02 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxypyrazine-2-carbaldehyde is sourced from PubChem (CID 139415839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).