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

C8H6ClN3O2 — CID 57010179

IUPAC7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1nc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C8H6ClN3O2/c1-3-4(9)2-5-6(10-3)12-8(14)7(13)11-5/h2H,1H3,(H,11,13)(H,10,12,14)
InChIKeyJPSOIZBORVQHND-UHFFFAOYSA-N
MW211.61 g/mol
LogP0.57
Rot. Bonds

About 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 57010179) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID57010179
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1nc2[nH]c(=O)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C8H6ClN3O2/c1-3-4(9)2-5-6(10-3)12-8(14)7(13)11-5/h2H,1H3,(H,11,13)(H,10,12,14)
InChIKeyJPSOIZBORVQHND-UHFFFAOYSA-N
XLogP0.57
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 57010179) is 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is Cc1nc2[nH]c(=O)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is JPSOIZBORVQHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-3-4(9)2-5-6(10-3)12-8(14)7(13)11-5/h2H,1H3,(H,11,13)(H,10,12,14).
What are the key properties of 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 211.61 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 57010179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).