5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine

C14H15N3O3 — CID 80864810

IUPAC5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
SMILESCC(C)c1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3,(H2,15,16)
InChIKeyLJBCIJHETIPEAW-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.49
Rot. Bonds4

About 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine

5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine (PubChem CID 80864810) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
PubChem CID80864810
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
SMILESCC(C)c1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3,(H2,15,16)
InChIKeyLJBCIJHETIPEAW-UHFFFAOYSA-N
XLogP3.49
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.49
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

6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
5-nitro-6-(1-phenylethoxy)pyridin-2-amine
CID 80860724
3-nitro-2-N-(3-propan-2-ylphenyl)pyridine-2,6-diamine
CID 80759844
5-nitro-6-quinolin-7-yloxypyridin-2-amine
CID 107315829
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
8-nitro-5-(3-propan-2-ylphenoxy)isoquinoline
CID 18226312
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2,4-dinitro-1-(3-propan-2-ylphenoxy)benzene
CID 9108889
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
6-(4-bromo-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80862579

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine (CID 80864810) is 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine is CC(C)c1cccc(Oc2nc(N)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine?
The InChIKey is LJBCIJHETIPEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3,(H2,15,16).
What are the key properties of 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine?
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine is sourced from PubChem (CID 80864810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).