3-(4-iodophenyl)pyrido[2,3-b]pyrazine

C13H8IN3 — CID 118796574

IUPAC3-(4-iodophenyl)pyrido[2,3-b]pyrazine
SMILESIc1ccc(-c2cnc3cccnc3n2)cc1
InChIInChI=1S/C13H8IN3/c14-10-5-3-9(4-6-10)12-8-16-11-2-1-7-15-13(11)17-12/h1-8H
InChIKeyQZXHTLVDIJIQPN-UHFFFAOYSA-N
MW333.13 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-iodophenyl)pyrido[2,3-b]pyrazine

3-(4-iodophenyl)pyrido[2,3-b]pyrazine (PubChem CID 118796574) has the molecular formula C13H8IN3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-(4-iodophenyl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(4-iodophenyl)pyrido[2,3-b]pyrazine
PubChem CID118796574
Molecular FormulaC13H8IN3
Molecular Weight333.13 g/mol
Exact Mass332.98
IUPAC Name3-(4-iodophenyl)pyrido[2,3-b]pyrazine
SMILESIc1ccc(-c2cnc3cccnc3n2)cc1
InChIInChI=1S/C13H8IN3/c14-10-5-3-9(4-6-10)12-8-16-11-2-1-7-15-13(11)17-12/h1-8H
InChIKeyQZXHTLVDIJIQPN-UHFFFAOYSA-N
XLogP3.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)pyrido[2,3-b]pyrazine?
The IUPAC name of 3-(4-iodophenyl)pyrido[2,3-b]pyrazine (CID 118796574) is 3-(4-iodophenyl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 3-(4-iodophenyl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 3-(4-iodophenyl)pyrido[2,3-b]pyrazine is Ic1ccc(-c2cnc3cccnc3n2)cc1.
What is the InChIKey of 3-(4-iodophenyl)pyrido[2,3-b]pyrazine?
The InChIKey is QZXHTLVDIJIQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3/c14-10-5-3-9(4-6-10)12-8-16-11-2-1-7-15-13(11)17-12/h1-8H.
What are the key properties of 3-(4-iodophenyl)pyrido[2,3-b]pyrazine?
3-(4-iodophenyl)pyrido[2,3-b]pyrazine has a molecular weight of 333.13 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 118796574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).