6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C7H4ClN3O2 — CID 10397814

IUPAC6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccc(Cl)nc2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,11,13)
InChIKeyQPRGYGULZXMPFU-UHFFFAOYSA-N
MW197.58 g/mol
LogP0.26
Rot. Bonds

About 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10397814) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10397814
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccc(Cl)nc2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,11,13)
InChIKeyQPRGYGULZXMPFU-UHFFFAOYSA-N
XLogP0.26
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10397814) is 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2ccc(Cl)nc2[nH]c1=O.
What is the InChIKey of 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is QPRGYGULZXMPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-7(13)6(12)9-3/h1-2H,(H,9,12)(H,10,11,13).
What are the key properties of 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 197.58 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10397814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).