7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde

C8H8BrN3O — CID 174655146

IUPAC7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde
SMILESO=CC1CNc2cc(Br)cnc2N1
InChIInChI=1S/C8H8BrN3O/c9-5-1-7-8(11-2-5)12-6(4-13)3-10-7/h1-2,4,6,10H,3H2,(H,11,12)
InChIKeyMUBYBNIHRWZIJF-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.25
Rot. Bonds1

About 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde

7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde (PubChem CID 174655146) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde
PubChem CID174655146
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde
SMILESO=CC1CNc2cc(Br)cnc2N1
InChIInChI=1S/C8H8BrN3O/c9-5-1-7-8(11-2-5)12-6(4-13)3-10-7/h1-2,4,6,10H,3H2,(H,11,12)
InChIKeyMUBYBNIHRWZIJF-UHFFFAOYSA-N
XLogP1.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde (CID 174655146) is 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde is O=CC1CNc2cc(Br)cnc2N1.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde?
The InChIKey is MUBYBNIHRWZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-5-1-7-8(11-2-5)12-6(4-13)3-10-7/h1-2,4,6,10H,3H2,(H,11,12).
What are the key properties of 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde?
7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde has a molecular weight of 242.08 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde is sourced from PubChem (CID 174655146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).