5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine

C9H8ClN3 — CID 12038529

IUPAC5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1nc2ccnc(Cl)c2nc1C
InChIInChI=1S/C9H8ClN3/c1-5-6(2)13-8-7(12-5)3-4-11-9(8)10/h3-4H,1-2H3
InChIKeyNEHGKUBKQVDTSV-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.30
Rot. Bonds

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

5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine (PubChem CID 12038529) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine
PubChem CID12038529
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine
SMILESCc1nc2ccnc(Cl)c2nc1C
InChIInChI=1S/C9H8ClN3/c1-5-6(2)13-8-7(12-5)3-4-11-9(8)10/h3-4H,1-2H3
InChIKeyNEHGKUBKQVDTSV-UHFFFAOYSA-N
XLogP2.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.30
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-chloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The IUPAC name of 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine (CID 12038529) is 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine is Cc1nc2ccnc(Cl)c2nc1C.
What is the InChIKey of 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine?
The InChIKey is NEHGKUBKQVDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-5-6(2)13-8-7(12-5)3-4-11-9(8)10/h3-4H,1-2H3.
What are the key properties of 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine?
5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine has a molecular weight of 193.64 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 12038529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).