3-(3-nitrophenyl)pyrido[2,3-b]pyrazine

C13H8N4O2 — CID 118796576

IUPAC3-(3-nitrophenyl)pyrido[2,3-b]pyrazine
SMILESO=[N+]([O-])c1cccc(-c2cnc3cccnc3n2)c1
InChIInChI=1S/C13H8N4O2/c18-17(19)10-4-1-3-9(7-10)12-8-15-11-5-2-6-14-13(11)16-12/h1-8H
InChIKeyPQLMRWLEKAGSLO-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.60
Rot. Bonds2

About 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine

3-(3-nitrophenyl)pyrido[2,3-b]pyrazine (PubChem CID 118796576) has the molecular formula C13H8N4O2 and a molecular weight of 252.23 g/mol. Its IUPAC name is 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(3-nitrophenyl)pyrido[2,3-b]pyrazine
PubChem CID118796576
Molecular FormulaC13H8N4O2
Molecular Weight252.23 g/mol
Exact Mass252.06
IUPAC Name3-(3-nitrophenyl)pyrido[2,3-b]pyrazine
SMILESO=[N+]([O-])c1cccc(-c2cnc3cccnc3n2)c1
InChIInChI=1S/C13H8N4O2/c18-17(19)10-4-1-3-9(7-10)12-8-15-11-5-2-6-14-13(11)16-12/h1-8H
InChIKeyPQLMRWLEKAGSLO-UHFFFAOYSA-N
XLogP2.60
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine (CID 118796576) is 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine is O=[N+]([O-])c1cccc(-c2cnc3cccnc3n2)c1.
What is the InChIKey of 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine?
The InChIKey is PQLMRWLEKAGSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2/c18-17(19)10-4-1-3-9(7-10)12-8-15-11-5-2-6-14-13(11)16-12/h1-8H.
What are the key properties of 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine?
3-(3-nitrophenyl)pyrido[2,3-b]pyrazine has a molecular weight of 252.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 118796576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).