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

C32H20N10O8 — CID 54012086

IUPAC2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine
SMILESO=[N+]([O-])c1cccc(C=Cc2nc(C=Cc3cccc([N+](=O)[O-])n3)c(C=Cc3cccc([N+](=O)[O-])n3)nc2C=Cc2cccc([N+](=O)[O-])n2)n1
InChIInChI=1S/C32H20N10O8/c43-39(44)29-9-1-5-21(33-29)13-17-25-26(18-14-22-6-2-10-30(34-22)40(45)46)38-28(20-16-24-8-4-12-32(36-24)42(49)50)27(37-25)19-15-23-7-3-11-31(35-23)41(47)48/h1-20H
InChIKeyKTBJZELDNUUTKR-UHFFFAOYSA-N
MW672.57 g/mol
LogP6.37
Rot. Bonds12

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

2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine (PubChem CID 54012086) has the molecular formula C32H20N10O8 and a molecular weight of 672.57 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine
PubChem CID54012086
Molecular FormulaC32H20N10O8
Molecular Weight672.57 g/mol
Exact Mass672.15
IUPAC Name2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine
SMILESO=[N+]([O-])c1cccc(C=Cc2nc(C=Cc3cccc([N+](=O)[O-])n3)c(C=Cc3cccc([N+](=O)[O-])n3)nc2C=Cc2cccc([N+](=O)[O-])n2)n1
InChIInChI=1S/C32H20N10O8/c43-39(44)29-9-1-5-21(33-29)13-17-25-26(18-14-22-6-2-10-30(34-22)40(45)46)38-28(20-16-24-8-4-12-32(36-24)42(49)50)27(37-25)19-15-23-7-3-11-31(35-23)41(47)48/h1-20H
InChIKeyKTBJZELDNUUTKR-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-(6-nitro-2-pyridinyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine (CID 54012086) is 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine is O=[N+]([O-])c1cccc(C=Cc2nc(C=Cc3cccc([N+](=O)[O-])n3)c(C=Cc3cccc([N+](=O)[O-])n3)nc2C=Cc2cccc([N+](=O)[O-])n2)n1.
What is the InChIKey of 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine?
The InChIKey is KTBJZELDNUUTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N10O8/c43-39(44)29-9-1-5-21(33-29)13-17-25-26(18-14-22-6-2-10-30(34-22)40(45)46)38-28(20-16-24-8-4-12-32(36-24)42(49)50)27(37-25)19-15-23-7-3-11-31(35-23)41(47)48/h1-20H.
What are the key properties of 2,3,5,6-tetrakis[2-(6-nitro-2-pyridinyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[2-(6-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-(6-nitro-2-pyridinyl)ethenyl]pyrazine is sourced from PubChem (CID 54012086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).