2,3-dichloropyrazine;pyrazine

C28H26Cl2N14 — CID 173325977

IUPAC2,3-dichloropyrazine;pyrazine
SMILESClc1nccnc1Cl.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C4H2Cl2N2.6C4H4N2/c5-3-4(6)8-2-1-7-3;6*1-2-6-4-3-5-1/h1-2H;6*1-4H
InChIKeyDTYMJENENWSVAM-UHFFFAOYSA-N
MW629.52 g/mol
LogP4.64
Rot. Bonds

About 2,3-dichloropyrazine;pyrazine

2,3-dichloropyrazine;pyrazine (PubChem CID 173325977) has the molecular formula C28H26Cl2N14 and a molecular weight of 629.52 g/mol. Its IUPAC name is 2,3-dichloropyrazine;pyrazine.

Molecular Properties

Compound Name2,3-dichloropyrazine;pyrazine
PubChem CID173325977
Molecular FormulaC28H26Cl2N14
Molecular Weight629.52 g/mol
Exact Mass628.18
IUPAC Name2,3-dichloropyrazine;pyrazine
SMILESClc1nccnc1Cl.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1
InChIInChI=1S/C4H2Cl2N2.6C4H4N2/c5-3-4(6)8-2-1-7-3;6*1-2-6-4-3-5-1/h1-2H;6*1-4H
InChIKeyDTYMJENENWSVAM-UHFFFAOYSA-N
XLogP4.64
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloropyrazine;pyrazine?
The IUPAC name of 2,3-dichloropyrazine;pyrazine (CID 173325977) is 2,3-dichloropyrazine;pyrazine.
What is the SMILES notation for 2,3-dichloropyrazine;pyrazine?
The canonical SMILES for 2,3-dichloropyrazine;pyrazine is Clc1nccnc1Cl.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.c1cnccn1.
What is the InChIKey of 2,3-dichloropyrazine;pyrazine?
The InChIKey is DTYMJENENWSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2.6C4H4N2/c5-3-4(6)8-2-1-7-3;6*1-2-6-4-3-5-1/h1-2H;6*1-4H.
What are the key properties of 2,3-dichloropyrazine;pyrazine?
2,3-dichloropyrazine;pyrazine has a molecular weight of 629.52 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloropyrazine;pyrazine is sourced from PubChem (CID 173325977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).