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

C7H4ClN3O2 — CID 119086960

IUPAC8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2nccc(Cl)c2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-3-1-2-9-5-4(3)10-6(12)7(13)11-5/h1-2H,(H,10,12)(H,9,11,13)
InChIKeyFIVKZRZFGFWRJS-UHFFFAOYSA-N
MW197.58 g/mol
LogP0.26
Rot. Bonds

About 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 119086960) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID119086960
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2nccc(Cl)c2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-3-1-2-9-5-4(3)10-6(12)7(13)11-5/h1-2H,(H,10,12)(H,9,11,13)
InChIKeyFIVKZRZFGFWRJS-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
2-Acetamido-5-chloropyridine
CID 798653
7-Trifluoromethyl-1,4-dihydro-pyrido[2,3-b]pyrazine-2,3-dione
CID 10823392
6,7-Dichloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 15392038
8-Methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 21625982
3H,4H-pyrido(2,3-b)pyrazin-3-one
CID 20360823
N-(5-chloropyridin-2-yl)-2-morpholin-4-ylacetamide
CID 1250810
7-Chloro-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 21625970
7,8-Dichloropyrido[2,3-b]pyrazine-2,3(1H,4H)-dione
CID 89477543
8-Bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 119086959
Pyrido[2,3-b]pyrazine-2,3-dione, 6-chloro-1,4-dihydro-
CID 10397814
7-Chloro-1,4-dihydropyrido(2,3-b)pyrazine-2,3-dione
CID 10559853

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 119086960) is 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2nccc(Cl)c2[nH]c1=O.
What is the InChIKey of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is FIVKZRZFGFWRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-3-1-2-9-5-4(3)10-6(12)7(13)11-5/h1-2H,(H,10,12)(H,9,11,13).
What are the key properties of 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
8-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 8-chloro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 119086960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).