5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine

C9H7Cl2N3 — CID 156621183

IUPAC5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1nc2cc(Cl)nc(Cl)c2nc1C
InChIInChI=1S/C9H7Cl2N3/c1-4-5(2)13-8-6(12-4)3-7(10)14-9(8)11/h3H,1-2H3
InChIKeyHMSOYCBHMKXNCC-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.95
Rot. Bonds

About 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine

5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine (PubChem CID 156621183) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine
PubChem CID156621183
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1nc2cc(Cl)nc(Cl)c2nc1C
InChIInChI=1S/C9H7Cl2N3/c1-4-5(2)13-8-6(12-4)3-7(10)14-9(8)11/h3H,1-2H3
InChIKeyHMSOYCBHMKXNCC-UHFFFAOYSA-N
XLogP2.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The IUPAC name of 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine (CID 156621183) is 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The canonical SMILES for 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine is Cc1nc2cc(Cl)nc(Cl)c2nc1C.
What is the InChIKey of 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The InChIKey is HMSOYCBHMKXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-4-5(2)13-8-6(12-4)3-7(10)14-9(8)11/h3H,1-2H3.
What are the key properties of 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine?
5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine has a molecular weight of 228.08 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-dimethylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 156621183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).