3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine

C15H11Cl2N3O2 — CID 170793879

IUPAC3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
SMILESCOc1ccc(COc2nc3cc(Cl)ncc3nc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-10-4-2-9(3-5-10)8-22-15-14(17)19-12-7-18-13(16)6-11(12)20-15/h2-7H,8H2,1H3
InChIKeyUMLVIPXEPBWFLA-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.92
Rot. Bonds4

About 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine

3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine (PubChem CID 170793879) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
PubChem CID170793879
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
SMILESCOc1ccc(COc2nc3cc(Cl)ncc3nc2Cl)cc1
InChIInChI=1S/C15H11Cl2N3O2/c1-21-10-4-2-9(3-5-10)8-22-15-14(17)19-12-7-18-13(16)6-11(12)20-15/h2-7H,8H2,1H3
InChIKeyUMLVIPXEPBWFLA-UHFFFAOYSA-N
XLogP3.92
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine?
The IUPAC name of 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine (CID 170793879) is 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine?
The canonical SMILES for 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine is COc1ccc(COc2nc3cc(Cl)ncc3nc2Cl)cc1.
What is the InChIKey of 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine?
The InChIKey is UMLVIPXEPBWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-21-10-4-2-9(3-5-10)8-22-15-14(17)19-12-7-18-13(16)6-11(12)20-15/h2-7H,8H2,1H3.
What are the key properties of 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine?
3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine has a molecular weight of 336.18 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 170793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).