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

C7H4ClN3O2 — CID 177311992

IUPAC5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccnc(Cl)c2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-5-4-3(1-2-9-5)10-6(12)7(13)11-4/h1-2H,(H,10,12)(H,11,13)
InChIKeyYRYGNZGLDGYTPC-UHFFFAOYSA-N
MW197.58 g/mol
LogP0.26
Rot. Bonds

About 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione

5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (PubChem CID 177311992) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
PubChem CID177311992
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2ccnc(Cl)c2[nH]c1=O
InChIInChI=1S/C7H4ClN3O2/c8-5-4-3(1-2-9-5)10-6(12)7(13)11-4/h1-2H,(H,10,12)(H,11,13)
InChIKeyYRYGNZGLDGYTPC-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'}

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Related Compounds

1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
CID 10375912
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485
4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
CID 53412838
4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
CID 71412051
8-chloro-3-methyl-1H-1,7-naphthyridin-4-one
CID 129293771
5,6-diamino-1,4-dihydroquinoxaline-2,3-dione
CID 19915787
6-chloro-2H-isoquinolin-1-one;1,6-dichloroisoquinoline
CID 161054637
2-oxo-1,3-dihydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 167724244
6-bromo-1-chloro-9H-pyrido[3,4-b]indole
CID 115051764
3,7-dichloro-1H-pyrrolo[2,3-c]pyridine
CID 53412470
4-chloro-1H-imidazo[4,5-c]pyridine;hydrochloride
CID 122362446
8-methyl-1,4-dihydropyrazino[2,3-f]quinoxaline-2,3-dione
CID 72723870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The IUPAC name of 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione (CID 177311992) is 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione.
What is the SMILES notation for 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The canonical SMILES for 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is O=c1[nH]c2ccnc(Cl)c2[nH]c1=O.
What is the InChIKey of 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
The InChIKey is YRYGNZGLDGYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-5-4-3(1-2-9-5)10-6(12)7(13)11-4/h1-2H,(H,10,12)(H,11,13).
What are the key properties of 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione?
5-chloro-1,4-dihydropyrido[3,4-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 5-chloro-1,4-dihydropyrido[3,4-b]pyrazine-2,3-dione is sourced from PubChem (CID 177311992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).