2,3,5,7-tetrachloropyrido[3,4-b]pyrazine

C7HCl4N3 — CID 121232247

IUPAC2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
SMILESClc1cc2nc(Cl)c(Cl)nc2c(Cl)n1
InChIInChI=1S/C7HCl4N3/c8-3-1-2-4(5(9)13-3)14-7(11)6(10)12-2/h1H
InChIKeyNRXVZHVLVVJFFC-UHFFFAOYSA-N
MW268.92 g/mol
LogP3.64
Rot. Bonds

About 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine

2,3,5,7-tetrachloropyrido[3,4-b]pyrazine (PubChem CID 121232247) has the molecular formula C7HCl4N3 and a molecular weight of 268.92 g/mol. Its IUPAC name is 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
PubChem CID121232247
Molecular FormulaC7HCl4N3
Molecular Weight268.92 g/mol
Exact Mass266.89
IUPAC Name2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
SMILESClc1cc2nc(Cl)c(Cl)nc2c(Cl)n1
InChIInChI=1S/C7HCl4N3/c8-3-1-2-4(5(9)13-3)14-7(11)6(10)12-2/h1H
InChIKeyNRXVZHVLVVJFFC-UHFFFAOYSA-N
XLogP3.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.92
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine?
The IUPAC name of 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine (CID 121232247) is 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine.
What is the SMILES notation for 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine?
The canonical SMILES for 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine is Clc1cc2nc(Cl)c(Cl)nc2c(Cl)n1.
What is the InChIKey of 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine?
The InChIKey is NRXVZHVLVVJFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl4N3/c8-3-1-2-4(5(9)13-3)14-7(11)6(10)12-2/h1H.
What are the key properties of 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine?
2,3,5,7-tetrachloropyrido[3,4-b]pyrazine has a molecular weight of 268.92 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7-tetrachloropyrido[3,4-b]pyrazine is sourced from PubChem (CID 121232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).