5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine

C9H7Cl3N2 — CID 134172579

IUPAC5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine
SMILESC/C(Cl)=C\c1nc(Cl)cnc1/C=C/Cl
InChIInChI=1S/C9H7Cl3N2/c1-6(11)4-8-7(2-3-10)13-5-9(12)14-8/h2-5H,1H3/b3-2+,6-4+
InChIKeyNHRZINYOIWUOOC-WJPDYIDTSA-N
MW249.53 g/mol
LogP3.94
Rot. Bonds2

About 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine

5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine (PubChem CID 134172579) has the molecular formula C9H7Cl3N2 and a molecular weight of 249.53 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine
PubChem CID134172579
Molecular FormulaC9H7Cl3N2
Molecular Weight249.53 g/mol
Exact Mass247.97
IUPAC Name5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine
SMILESC/C(Cl)=C\c1nc(Cl)cnc1/C=C/Cl
InChIInChI=1S/C9H7Cl3N2/c1-6(11)4-8-7(2-3-10)13-5-9(12)14-8/h2-5H,1H3/b3-2+,6-4+
InChIKeyNHRZINYOIWUOOC-WJPDYIDTSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine?
The IUPAC name of 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine (CID 134172579) is 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine.
What is the SMILES notation for 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine?
The canonical SMILES for 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine is C/C(Cl)=C\c1nc(Cl)cnc1/C=C/Cl.
What is the InChIKey of 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine?
The InChIKey is NHRZINYOIWUOOC-WJPDYIDTSA-N. The full InChI is InChI=1S/C9H7Cl3N2/c1-6(11)4-8-7(2-3-10)13-5-9(12)14-8/h2-5H,1H3/b3-2+,6-4+.
What are the key properties of 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine?
5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine has a molecular weight of 249.53 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-chloroethenyl]-3-[(E)-2-chloroprop-1-enyl]pyrazine is sourced from PubChem (CID 134172579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).