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

C32H20N10O8 — CID 54397135

IUPAC2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine
SMILESO=[N+]([O-])c1ccnc(C=Cc2nc(C=Cc3cc([N+](=O)[O-])ccn3)c(C=Cc3cc([N+](=O)[O-])ccn3)nc2C=Cc2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C32H20N10O8/c43-39(44)25-9-13-33-21(17-25)1-5-29-30(6-2-22-18-26(40(45)46)10-14-34-22)38-32(8-4-24-20-28(42(49)50)12-16-36-24)31(37-29)7-3-23-19-27(41(47)48)11-15-35-23/h1-20H
InChIKeyVKTZFXGJRCPKAD-UHFFFAOYSA-N
MW672.57 g/mol
LogP6.37
Rot. Bonds12

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

2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine (PubChem CID 54397135) has the molecular formula C32H20N10O8 and a molecular weight of 672.57 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine
PubChem CID54397135
Molecular FormulaC32H20N10O8
Molecular Weight672.57 g/mol
Exact Mass672.15
IUPAC Name2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine
SMILESO=[N+]([O-])c1ccnc(C=Cc2nc(C=Cc3cc([N+](=O)[O-])ccn3)c(C=Cc3cc([N+](=O)[O-])ccn3)nc2C=Cc2cc([N+](=O)[O-])ccn2)c1
InChIInChI=1S/C32H20N10O8/c43-39(44)25-9-13-33-21(17-25)1-5-29-30(6-2-22-18-26(40(45)46)10-14-34-22)38-32(8-4-24-20-28(42(49)50)12-16-36-24)31(37-29)7-3-23-19-27(41(47)48)11-15-35-23/h1-20H
InChIKeyVKTZFXGJRCPKAD-UHFFFAOYSA-N
XLogP6.37
TPSA249.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine (CID 54397135) is 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine is O=[N+]([O-])c1ccnc(C=Cc2nc(C=Cc3cc([N+](=O)[O-])ccn3)c(C=Cc3cc([N+](=O)[O-])ccn3)nc2C=Cc2cc([N+](=O)[O-])ccn2)c1.
What is the InChIKey of 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine?
The InChIKey is VKTZFXGJRCPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N10O8/c43-39(44)25-9-13-33-21(17-25)1-5-29-30(6-2-22-18-26(40(45)46)10-14-34-22)38-32(8-4-24-20-28(42(49)50)12-16-36-24)31(37-29)7-3-23-19-27(41(47)48)11-15-35-23/h1-20H.
What are the key properties of 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine has a molecular weight of 672.57 g/mol, XLogP of 6.37, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[2-(4-nitro-2-pyridinyl)ethenyl]pyrazine is sourced from PubChem (CID 54397135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).