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

C9H11N3O3 — CID 80862118

IUPAC6-but-3-enoxy-5-nitropyridin-2-amine
SMILESC=CCCOc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c1-2-3-6-15-9-7(12(13)14)4-5-8(10)11-9/h2,4-5H,1,3,6H2,(H2,10,11)
InChIKeyIRHNQCVVOHFXRJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.53
Rot. Bonds5

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

6-but-3-enoxy-5-nitropyridin-2-amine (PubChem CID 80862118) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-but-3-enoxy-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-but-3-enoxy-5-nitropyridin-2-amine
PubChem CID80862118
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name6-but-3-enoxy-5-nitropyridin-2-amine
SMILESC=CCCOc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c1-2-3-6-15-9-7(12(13)14)4-5-8(10)11-9/h2,4-5H,1,3,6H2,(H2,10,11)
InChIKeyIRHNQCVVOHFXRJ-UHFFFAOYSA-N
XLogP1.53
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.53
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-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
CID 80871108
6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
CID 80859627
4-bromo-1-but-3-enoxy-2-nitrobenzene
CID 61374931
5-but-3-enoxy-2-nitrobenzoic acid
CID 29005919
but-3-enyl 2-nitrobenzoate
CID 118039661
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-5-nitropyridin-2-amine?
The IUPAC name of 6-but-3-enoxy-5-nitropyridin-2-amine (CID 80862118) is 6-but-3-enoxy-5-nitropyridin-2-amine.
What is the SMILES notation for 6-but-3-enoxy-5-nitropyridin-2-amine?
The canonical SMILES for 6-but-3-enoxy-5-nitropyridin-2-amine is C=CCCOc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-but-3-enoxy-5-nitropyridin-2-amine?
The InChIKey is IRHNQCVVOHFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-3-6-15-9-7(12(13)14)4-5-8(10)11-9/h2,4-5H,1,3,6H2,(H2,10,11).
What are the key properties of 6-but-3-enoxy-5-nitropyridin-2-amine?
6-but-3-enoxy-5-nitropyridin-2-amine has a molecular weight of 209.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-5-nitropyridin-2-amine is sourced from PubChem (CID 80862118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).