6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C8H6N4O5 — CID 10514056

IUPAC6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1nc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N4O5/c1-17-8-4(12(15)16)2-3-5(11-8)10-7(14)6(13)9-3/h2H,1H3,(H,9,13)(H,10,11,14)
InChIKeyBHKMWAQSROIMFF-UHFFFAOYSA-N
MW238.16 g/mol
LogP-0.47
Rot. Bonds2

About 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10514056) has the molecular formula C8H6N4O5 and a molecular weight of 238.16 g/mol. Its IUPAC name is 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10514056
Molecular FormulaC8H6N4O5
Molecular Weight238.16 g/mol
Exact Mass238.03
IUPAC Name6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCOc1nc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N4O5/c1-17-8-4(12(15)16)2-3-5(11-8)10-7(14)6(13)9-3/h2H,1H3,(H,9,13)(H,10,11,14)
InChIKeyBHKMWAQSROIMFF-UHFFFAOYSA-N
XLogP-0.47
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10514056) is 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is COc1nc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is BHKMWAQSROIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O5/c1-17-8-4(12(15)16)2-3-5(11-8)10-7(14)6(13)9-3/h2H,1H3,(H,9,13)(H,10,11,14).
What are the key properties of 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 238.16 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10514056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).