6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine

C9H14N4O3 — CID 79815802

IUPAC6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
SMILESCCNCCOc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O3/c1-2-11-5-6-16-8-4-3-7(13(14)15)9(10)12-8/h3-4,11H,2,5-6H2,1H3,(H2,10,12)
InChIKeyLPHUPGSPEXSWAS-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.56
Rot. Bonds6

About 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine

6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine (PubChem CID 79815802) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
PubChem CID79815802
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine
SMILESCCNCCOc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O3/c1-2-11-5-6-16-8-4-3-7(13(14)15)9(10)12-8/h3-4,11H,2,5-6H2,1H3,(H2,10,12)
InChIKeyLPHUPGSPEXSWAS-UHFFFAOYSA-N
XLogP0.56
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-cyclopropylethoxy)-3-nitropyridin-2-amine
CID 106207381
6-(2-cyclobutylethoxy)-3-nitropyridin-2-amine
CID 114158193
CID 157299402
CID 157299402
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
CID 29015980
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
CID 63691870
N-[2-[(6-methyl-3-nitro-2-pyridinyl)oxy]ethyl]propan-1-amine
CID 81137582
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276
3-nitro-6-(trideuteriomethoxy)pyridin-2-amine;6-(trideuteriomethoxy)pyridine-2,3-diamine
CID 161242232
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
N-ethyl-2-[(6-methoxy-2-pyridinyl)oxy]ethanamine
CID 63586299

Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine?
The IUPAC name of 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine (CID 79815802) is 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine is CCNCCOc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine?
The InChIKey is LPHUPGSPEXSWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-11-5-6-16-8-4-3-7(13(14)15)9(10)12-8/h3-4,11H,2,5-6H2,1H3,(H2,10,12).
What are the key properties of 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine?
6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylamino)ethoxy]-3-nitropyridin-2-amine is sourced from PubChem (CID 79815802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).