2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine

C32H20Cl4N6 — CID 54111697

IUPAC2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine
SMILESClc1ccnc(C=Cc2nc(C=Cc3cc(Cl)ccn3)c(C=Cc3cc(Cl)ccn3)nc2C=Cc2cc(Cl)ccn2)c1
InChIInChI=1S/C32H20Cl4N6/c33-21-9-13-37-25(17-21)1-5-29-30(6-2-26-18-22(34)10-14-38-26)42-32(8-4-28-20-24(36)12-16-40-28)31(41-29)7-3-27-19-23(35)11-15-39-27/h1-20H
InChIKeyNHOQHHDECFYDHH-UHFFFAOYSA-N
MW630.37 g/mol
LogP9.35
Rot. Bonds8

About 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine

2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine (PubChem CID 54111697) has the molecular formula C32H20Cl4N6 and a molecular weight of 630.37 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine
PubChem CID54111697
Molecular FormulaC32H20Cl4N6
Molecular Weight630.37 g/mol
Exact Mass628.05
IUPAC Name2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine
SMILESClc1ccnc(C=Cc2nc(C=Cc3cc(Cl)ccn3)c(C=Cc3cc(Cl)ccn3)nc2C=Cc2cc(Cl)ccn2)c1
InChIInChI=1S/C32H20Cl4N6/c33-21-9-13-37-25(17-21)1-5-29-30(6-2-26-18-22(34)10-14-38-26)42-32(8-4-28-20-24(36)12-16-40-28)31(41-29)7-3-27-19-23(35)11-15-39-27/h1-20H
InChIKeyNHOQHHDECFYDHH-UHFFFAOYSA-N
XLogP9.35
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.37
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine (CID 54111697) is 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine is Clc1ccnc(C=Cc2nc(C=Cc3cc(Cl)ccn3)c(C=Cc3cc(Cl)ccn3)nc2C=Cc2cc(Cl)ccn2)c1.
What is the InChIKey of 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine?
The InChIKey is NHOQHHDECFYDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Cl4N6/c33-21-9-13-37-25(17-21)1-5-29-30(6-2-26-18-22(34)10-14-38-26)42-32(8-4-28-20-24(36)12-16-40-28)31(41-29)7-3-27-19-23(35)11-15-39-27/h1-20H.
What are the key properties of 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine has a molecular weight of 630.37 g/mol, XLogP of 9.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[2-(4-chloro-2-pyridinyl)ethenyl]pyrazine is sourced from PubChem (CID 54111697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).