6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine

C14H15N3O3 — CID 80864419

IUPAC6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCCc1ccc(Oc2nc(NC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-3-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-2)16-14/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyYQYWMBSIIJGQCK-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.39
Rot. Bonds5

About 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine

6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine (PubChem CID 80864419) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
PubChem CID80864419
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
SMILESCCc1ccc(Oc2nc(NC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-3-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-2)16-14/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyYQYWMBSIIJGQCK-UHFFFAOYSA-N
XLogP3.39
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The IUPAC name of 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine (CID 80864419) is 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The canonical SMILES for 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine is CCc1ccc(Oc2nc(NC)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine?
The InChIKey is YQYWMBSIIJGQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-10-4-6-11(7-5-10)20-14-12(17(18)19)8-9-13(15-2)16-14/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine?
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80864419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).