1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one

C10H9N3O4 — CID 170629377

IUPAC1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(O)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C10H9N3O4/c1-2-12-9-6(4-8(14)10(12)15)3-7(5-11-9)13(16)17/h3-5,14H,2H2,1H3
InChIKeyDEAWARUDMVAKTJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.03
Rot. Bonds2

About 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one

1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one (PubChem CID 170629377) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
PubChem CID170629377
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(O)cc2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C10H9N3O4/c1-2-12-9-6(4-8(14)10(12)15)3-7(5-11-9)13(16)17/h3-5,14H,2H2,1H3
InChIKeyDEAWARUDMVAKTJ-UHFFFAOYSA-N
XLogP1.03
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The IUPAC name of 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one (CID 170629377) is 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one is CCn1c(=O)c(O)cc2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
The InChIKey is DEAWARUDMVAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-2-12-9-6(4-8(14)10(12)15)3-7(5-11-9)13(16)17/h3-5,14H,2H2,1H3.
What are the key properties of 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one?
1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one is sourced from PubChem (CID 170629377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).