6-ethoxy-3-nitropyridine-2-carbaldehyde

C8H8N2O4 — CID 86659062

IUPAC6-ethoxy-3-nitropyridine-2-carbaldehyde
SMILESCCOc1ccc([N+](=O)[O-])c(C=O)n1
InChIInChI=1S/C8H8N2O4/c1-2-14-8-4-3-7(10(12)13)6(5-11)9-8/h3-5H,2H2,1H3
InChIKeyPKAMIVZRBSNXJW-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.20
Rot. Bonds4

About 6-ethoxy-3-nitropyridine-2-carbaldehyde

6-ethoxy-3-nitropyridine-2-carbaldehyde (PubChem CID 86659062) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 6-ethoxy-3-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-ethoxy-3-nitropyridine-2-carbaldehyde
PubChem CID86659062
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name6-ethoxy-3-nitropyridine-2-carbaldehyde
SMILESCCOc1ccc([N+](=O)[O-])c(C=O)n1
InChIInChI=1S/C8H8N2O4/c1-2-14-8-4-3-7(10(12)13)6(5-11)9-8/h3-5H,2H2,1H3
InChIKeyPKAMIVZRBSNXJW-UHFFFAOYSA-N
XLogP1.20
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-N-methyl-3-nitropyridin-2-amine
CID 10631783
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
CID 79815802
1-ethoxy-2-nitronaphthalene
CID 15811705
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
1-ethyl-4-nitropyrazole-3-carbaldehyde
CID 126544083
S-[4-(6-methoxy-3-nitro-2-pyridinyl)but-3-enyl] ethanethioate
CID 170480735
CID 157299402
CID 157299402
6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
CID 103112015
3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]benzaldehyde
CID 737857

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-nitropyridine-2-carbaldehyde?
The IUPAC name of 6-ethoxy-3-nitropyridine-2-carbaldehyde (CID 86659062) is 6-ethoxy-3-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 6-ethoxy-3-nitropyridine-2-carbaldehyde?
The canonical SMILES for 6-ethoxy-3-nitropyridine-2-carbaldehyde is CCOc1ccc([N+](=O)[O-])c(C=O)n1.
What is the InChIKey of 6-ethoxy-3-nitropyridine-2-carbaldehyde?
The InChIKey is PKAMIVZRBSNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-2-14-8-4-3-7(10(12)13)6(5-11)9-8/h3-5H,2H2,1H3.
What are the key properties of 6-ethoxy-3-nitropyridine-2-carbaldehyde?
6-ethoxy-3-nitropyridine-2-carbaldehyde has a molecular weight of 196.16 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 86659062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).