3-chloropyrazine-2-carbonyl chloride

C5H2Cl2N2O — CID 15644194

IUPAC3-chloropyrazine-2-carbonyl chloride
SMILESO=C(Cl)c1nccnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H
InChIKeyMBRNPLQGJAAIBO-UHFFFAOYSA-N
MW176.99 g/mol
LogP1.51
Rot. Bonds1

About 3-chloropyrazine-2-carbonyl chloride

3-chloropyrazine-2-carbonyl chloride (PubChem CID 15644194) has the molecular formula C5H2Cl2N2O and a molecular weight of 176.99 g/mol. Its IUPAC name is 3-chloropyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name3-chloropyrazine-2-carbonyl chloride
PubChem CID15644194
Molecular FormulaC5H2Cl2N2O
Molecular Weight176.99 g/mol
Exact Mass175.95
IUPAC Name3-chloropyrazine-2-carbonyl chloride
SMILESO=C(Cl)c1nccnc1Cl
InChIInChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H
InChIKeyMBRNPLQGJAAIBO-UHFFFAOYSA-N
XLogP1.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.99
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropyrazine-2-carbonyl chloride?
The IUPAC name of 3-chloropyrazine-2-carbonyl chloride (CID 15644194) is 3-chloropyrazine-2-carbonyl chloride.
What is the SMILES notation for 3-chloropyrazine-2-carbonyl chloride?
The canonical SMILES for 3-chloropyrazine-2-carbonyl chloride is O=C(Cl)c1nccnc1Cl.
What is the InChIKey of 3-chloropyrazine-2-carbonyl chloride?
The InChIKey is MBRNPLQGJAAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N2O/c6-4-3(5(7)10)8-1-2-9-4/h1-2H.
What are the key properties of 3-chloropyrazine-2-carbonyl chloride?
3-chloropyrazine-2-carbonyl chloride has a molecular weight of 176.99 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyrazine-2-carbonyl chloride is sourced from PubChem (CID 15644194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).