2-ethoxy-3-nitro-1,8-naphthyridine

C10H9N3O3 — CID 12857736

IUPAC2-ethoxy-3-nitro-1,8-naphthyridine
SMILESCCOc1nc2ncccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O3/c1-2-16-10-8(13(14)15)6-7-4-3-5-11-9(7)12-10/h3-6H,2H2,1H3
InChIKeyXTMVDRVDDGEUCW-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.94
Rot. Bonds3

About 2-ethoxy-3-nitro-1,8-naphthyridine

2-ethoxy-3-nitro-1,8-naphthyridine (PubChem CID 12857736) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-ethoxy-3-nitro-1,8-naphthyridine.

Molecular Properties

Compound Name2-ethoxy-3-nitro-1,8-naphthyridine
PubChem CID12857736
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-ethoxy-3-nitro-1,8-naphthyridine
SMILESCCOc1nc2ncccc2cc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O3/c1-2-16-10-8(13(14)15)6-7-4-3-5-11-9(7)12-10/h3-6H,2H2,1H3
InChIKeyXTMVDRVDDGEUCW-UHFFFAOYSA-N
XLogP1.94
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
2-ethoxy-1,8-naphthyridine
CID 4053994
2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine
CID 43706375
4-ethoxy-5-nitro-N-phenylpyrimidin-2-amine
CID 121013586
1-ethoxy-2-nitronaphthalene
CID 15811705
6-nitrobenzo[b][1,8]naphthyridine-9-carboxylic acid
CID 10355710
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
CID 133424666
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374
8-(6-ethoxy-5-nitropyrimidin-4-yl)sulfanylquinoline
CID 22537288
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-nitro-1,8-naphthyridine?
The IUPAC name of 2-ethoxy-3-nitro-1,8-naphthyridine (CID 12857736) is 2-ethoxy-3-nitro-1,8-naphthyridine.
What is the SMILES notation for 2-ethoxy-3-nitro-1,8-naphthyridine?
The canonical SMILES for 2-ethoxy-3-nitro-1,8-naphthyridine is CCOc1nc2ncccc2cc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-3-nitro-1,8-naphthyridine?
The InChIKey is XTMVDRVDDGEUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-2-16-10-8(13(14)15)6-7-4-3-5-11-9(7)12-10/h3-6H,2H2,1H3.
What are the key properties of 2-ethoxy-3-nitro-1,8-naphthyridine?
2-ethoxy-3-nitro-1,8-naphthyridine has a molecular weight of 219.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-nitro-1,8-naphthyridine is sourced from PubChem (CID 12857736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).