6-(4-iodophenoxy)pyrido[2,3-b]pyrazine

C13H8IN3O — CID 78955285

IUPAC6-(4-iodophenoxy)pyrido[2,3-b]pyrazine
SMILESIc1ccc(Oc2ccc3nccnc3n2)cc1
InChIInChI=1S/C13H8IN3O/c14-9-1-3-10(4-2-9)18-12-6-5-11-13(17-12)16-8-7-15-11/h1-8H
InChIKeyPVOUGTGMVQMPIZ-UHFFFAOYSA-N
MW349.13 g/mol
LogP3.42
Rot. Bonds2

About 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine

6-(4-iodophenoxy)pyrido[2,3-b]pyrazine (PubChem CID 78955285) has the molecular formula C13H8IN3O and a molecular weight of 349.13 g/mol. Its IUPAC name is 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-iodophenoxy)pyrido[2,3-b]pyrazine
PubChem CID78955285
Molecular FormulaC13H8IN3O
Molecular Weight349.13 g/mol
Exact Mass348.97
IUPAC Name6-(4-iodophenoxy)pyrido[2,3-b]pyrazine
SMILESIc1ccc(Oc2ccc3nccnc3n2)cc1
InChIInChI=1S/C13H8IN3O/c14-9-1-3-10(4-2-9)18-12-6-5-11-13(17-12)16-8-7-15-11/h1-8H
InChIKeyPVOUGTGMVQMPIZ-UHFFFAOYSA-N
XLogP3.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine?
The IUPAC name of 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine (CID 78955285) is 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine?
The canonical SMILES for 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine is Ic1ccc(Oc2ccc3nccnc3n2)cc1.
What is the InChIKey of 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine?
The InChIKey is PVOUGTGMVQMPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O/c14-9-1-3-10(4-2-9)18-12-6-5-11-13(17-12)16-8-7-15-11/h1-8H.
What are the key properties of 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine?
6-(4-iodophenoxy)pyrido[2,3-b]pyrazine has a molecular weight of 349.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 78955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).