2,5-dichloro-1H-pyrazine-4-carbaldehyde

C5H4Cl2N2O — CID 18983166

IUPAC2,5-dichloro-1H-pyrazine-4-carbaldehyde
SMILESO=CN1C=C(Cl)NC=C1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-4-2-9(3-10)5(7)1-8-4/h1-3,8H
InChIKeyHUDBQZYXVZTXTM-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.12
Rot. Bonds1

About 2,5-dichloro-1H-pyrazine-4-carbaldehyde

2,5-dichloro-1H-pyrazine-4-carbaldehyde (PubChem CID 18983166) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 2,5-dichloro-1H-pyrazine-4-carbaldehyde.

Molecular Properties

Compound Name2,5-dichloro-1H-pyrazine-4-carbaldehyde
PubChem CID18983166
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name2,5-dichloro-1H-pyrazine-4-carbaldehyde
SMILESO=CN1C=C(Cl)NC=C1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-4-2-9(3-10)5(7)1-8-4/h1-3,8H
InChIKeyHUDBQZYXVZTXTM-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1H-pyrazine-4-carbaldehyde?
The IUPAC name of 2,5-dichloro-1H-pyrazine-4-carbaldehyde (CID 18983166) is 2,5-dichloro-1H-pyrazine-4-carbaldehyde.
What is the SMILES notation for 2,5-dichloro-1H-pyrazine-4-carbaldehyde?
The canonical SMILES for 2,5-dichloro-1H-pyrazine-4-carbaldehyde is O=CN1C=C(Cl)NC=C1Cl.
What is the InChIKey of 2,5-dichloro-1H-pyrazine-4-carbaldehyde?
The InChIKey is HUDBQZYXVZTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c6-4-2-9(3-10)5(7)1-8-4/h1-3,8H.
What are the key properties of 2,5-dichloro-1H-pyrazine-4-carbaldehyde?
2,5-dichloro-1H-pyrazine-4-carbaldehyde has a molecular weight of 179.01 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1H-pyrazine-4-carbaldehyde is sourced from PubChem (CID 18983166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).