6-ethoxy-N-methyl-3-nitropyridin-2-amine

C8H11N3O3 — CID 10631783

IUPAC6-ethoxy-N-methyl-3-nitropyridin-2-amine
SMILESCCOc1ccc([N+](=O)[O-])c(NC)n1
InChIInChI=1S/C8H11N3O3/c1-3-14-7-5-4-6(11(12)13)8(9-2)10-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyZNCIGMRJLOXOEV-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.43
Rot. Bonds4

About 6-ethoxy-N-methyl-3-nitropyridin-2-amine

6-ethoxy-N-methyl-3-nitropyridin-2-amine (PubChem CID 10631783) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-3-nitropyridin-2-amine
PubChem CID10631783
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-ethoxy-N-methyl-3-nitropyridin-2-amine
SMILESCCOc1ccc([N+](=O)[O-])c(NC)n1
InChIInChI=1S/C8H11N3O3/c1-3-14-7-5-4-6(11(12)13)8(9-2)10-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyZNCIGMRJLOXOEV-UHFFFAOYSA-N
XLogP1.43
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
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

6-ethoxy-3-nitropyridine-2-carbaldehyde
CID 86659062
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-methyl-3-nitropyridin-2-amine
CID 556349
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
2-ethoxy-6-methyl-3-nitropyridine
CID 133057492
N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine
CID 20550352
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
6-[2-(3-fluorophenyl)phenoxy]-N-methyl-3-nitropyridin-2-amine
CID 169094918
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-ethoxy-N-methyl-3-nitropyridin-2-amine (CID 10631783) is 6-ethoxy-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-methyl-3-nitropyridin-2-amine is CCOc1ccc([N+](=O)[O-])c(NC)n1.
What is the InChIKey of 6-ethoxy-N-methyl-3-nitropyridin-2-amine?
The InChIKey is ZNCIGMRJLOXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-14-7-5-4-6(11(12)13)8(9-2)10-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 6-ethoxy-N-methyl-3-nitropyridin-2-amine?
6-ethoxy-N-methyl-3-nitropyridin-2-amine has a molecular weight of 197.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 10631783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).