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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Related Compounds

1-(cyclopropylmethyl)-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
CID 170629549
1-ethyl-2-(4-fluorophenyl)-5-nitropyrrolo[2,3-b]pyridine
CID 67284498
4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
CID 15153036
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
1-(cyclopropylmethyl)-3-hydroxy-6-nitroquinolin-2-one
CID 142375006
6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 166831391
1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
CID 86710739
[4-[1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
CID 151954847
2-fluoro-5-nitropyridin-3-ol
CID 130057663
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
1-(cyclohexylmethyl)-5-nitropyrrolo[2,3-b]pyridine
CID 90152555

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).