5-nitro-6-(1-phenylethoxy)pyridin-2-amine

C13H13N3O3 — CID 80860724

IUPAC5-nitro-6-(1-phenylethoxy)pyridin-2-amine
SMILESCC(Oc1nc(N)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)19-13-11(16(17)18)7-8-12(14)15-13/h2-9H,1H3,(H2,14,15)
InChIKeyTUGLYAHXFLPYNQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.71
Rot. Bonds4

About 5-nitro-6-(1-phenylethoxy)pyridin-2-amine

5-nitro-6-(1-phenylethoxy)pyridin-2-amine (PubChem CID 80860724) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-nitro-6-(1-phenylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(1-phenylethoxy)pyridin-2-amine
PubChem CID80860724
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name5-nitro-6-(1-phenylethoxy)pyridin-2-amine
SMILESCC(Oc1nc(N)ccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)19-13-11(16(17)18)7-8-12(14)15-13/h2-9H,1H3,(H2,14,15)
InChIKeyTUGLYAHXFLPYNQ-UHFFFAOYSA-N
XLogP2.71
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.71
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

5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
5-nitro-6-(2,3,6-trimethylphenoxy)pyridin-2-amine
CID 80874556
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
2-N-[1-(3-chlorophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802264
2-(4-nitrophenyl)-3-(1-phenylethoxy)pyrazine
CID 126529003
2-N-[1-(4-methoxyphenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80832173

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(1-phenylethoxy)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(1-phenylethoxy)pyridin-2-amine (CID 80860724) is 5-nitro-6-(1-phenylethoxy)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(1-phenylethoxy)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(1-phenylethoxy)pyridin-2-amine is CC(Oc1nc(N)ccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 5-nitro-6-(1-phenylethoxy)pyridin-2-amine?
The InChIKey is TUGLYAHXFLPYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9(10-5-3-2-4-6-10)19-13-11(16(17)18)7-8-12(14)15-13/h2-9H,1H3,(H2,14,15).
What are the key properties of 5-nitro-6-(1-phenylethoxy)pyridin-2-amine?
5-nitro-6-(1-phenylethoxy)pyridin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(1-phenylethoxy)pyridin-2-amine is sourced from PubChem (CID 80860724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).