5-(2-nitrophenoxy)pyridin-3-amine

C11H9N3O3 — CID 104536596

IUPAC5-(2-nitrophenoxy)pyridin-3-amine
SMILESNc1cncc(Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3/c12-8-5-9(7-13-6-8)17-11-4-2-1-3-10(11)14(15)16/h1-7H,12H2
InChIKeyMCQKOISLPCFHCN-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.36
Rot. Bonds3

About 5-(2-nitrophenoxy)pyridin-3-amine

5-(2-nitrophenoxy)pyridin-3-amine (PubChem CID 104536596) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-(2-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(2-nitrophenoxy)pyridin-3-amine
PubChem CID104536596
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-(2-nitrophenoxy)pyridin-3-amine
SMILESNc1cncc(Oc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3/c12-8-5-9(7-13-6-8)17-11-4-2-1-3-10(11)14(15)16/h1-7H,12H2
InChIKeyMCQKOISLPCFHCN-UHFFFAOYSA-N
XLogP2.36
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.36
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

3-(2-nitrophenoxy)aniline
CID 12638058
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
6-(2-nitrophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57212447
5-(2-propoxyphenoxy)pyridin-3-amine
CID 113424320
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
CID 10616047

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 5-(2-nitrophenoxy)pyridin-3-amine (CID 104536596) is 5-(2-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 5-(2-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 5-(2-nitrophenoxy)pyridin-3-amine is Nc1cncc(Oc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 5-(2-nitrophenoxy)pyridin-3-amine?
The InChIKey is MCQKOISLPCFHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-8-5-9(7-13-6-8)17-11-4-2-1-3-10(11)14(15)16/h1-7H,12H2.
What are the key properties of 5-(2-nitrophenoxy)pyridin-3-amine?
5-(2-nitrophenoxy)pyridin-3-amine has a molecular weight of 231.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 104536596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).