6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine

C11H15N3O3 — CID 80861167

IUPAC6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
SMILESC=CCCOc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-3-5-8-17-11-9(14(15)16)6-7-10(13-11)12-4-2/h3,6-7H,1,4-5,8H2,2H3,(H,12,13)
InChIKeyUIIHAXKFVBZIQE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.38
Rot. Bonds7

About 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine

6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine (PubChem CID 80861167) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
PubChem CID80861167
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
SMILESC=CCCOc1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-3-5-8-17-11-9(14(15)16)6-7-10(13-11)12-4-2/h3,6-7H,1,4-5,8H2,2H3,(H,12,13)
InChIKeyUIIHAXKFVBZIQE-UHFFFAOYSA-N
XLogP2.38
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-(2-butoxyethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80861686
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
6-but-3-enoxy-5-nitropyridin-2-amine
CID 80862118
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251
6-[(3-bromophenyl)methoxy]-N-ethyl-5-nitropyridin-2-amine
CID 82808221
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine?
The IUPAC name of 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine (CID 80861167) is 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine is C=CCCOc1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine?
The InChIKey is UIIHAXKFVBZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-5-8-17-11-9(14(15)16)6-7-10(13-11)12-4-2/h3,6-7H,1,4-5,8H2,2H3,(H,12,13).
What are the key properties of 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine?
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80861167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).