2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine

C8H4Cl2N6O4 — CID 158230025

IUPAC2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cncnc1Cl.O=[N+]([O-])c1nccnc1Cl
InChIInChI=1S/2C4H2ClN3O2/c5-4-3(8(9)10)1-6-2-7-4;5-3-4(8(9)10)7-2-1-6-3/h2*1-2H
InChIKeyGEGNZBXMQTWXAD-UHFFFAOYSA-N
MW319.06 g/mol
LogP2.08
Rot. Bonds2

About 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine

2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine (PubChem CID 158230025) has the molecular formula C8H4Cl2N6O4 and a molecular weight of 319.06 g/mol. Its IUPAC name is 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine.

Molecular Properties

Compound Name2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
PubChem CID158230025
Molecular FormulaC8H4Cl2N6O4
Molecular Weight319.06 g/mol
Exact Mass317.97
IUPAC Name2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cncnc1Cl.O=[N+]([O-])c1nccnc1Cl
InChIInChI=1S/2C4H2ClN3O2/c5-4-3(8(9)10)1-6-2-7-4;5-3-4(8(9)10)7-2-1-6-3/h2*1-2H
InChIKeyGEGNZBXMQTWXAD-UHFFFAOYSA-N
XLogP2.08
TPSA137.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.06
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine?
The IUPAC name of 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine (CID 158230025) is 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine.
What is the SMILES notation for 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine?
The canonical SMILES for 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine is O=[N+]([O-])c1cncnc1Cl.O=[N+]([O-])c1nccnc1Cl.
What is the InChIKey of 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine?
The InChIKey is GEGNZBXMQTWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H2ClN3O2/c5-4-3(8(9)10)1-6-2-7-4;5-3-4(8(9)10)7-2-1-6-3/h2*1-2H.
What are the key properties of 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine?
2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine has a molecular weight of 319.06 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine is sourced from PubChem (CID 158230025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).