6-(3-chlorophenoxy)-5-nitropyridin-2-amine

C11H8ClN3O3 — CID 80869741

IUPAC6-(3-chlorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C11H8ClN3O3/c12-7-2-1-3-8(6-7)18-11-9(15(16)17)4-5-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyOALYJSCXKAVJNW-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.02
Rot. Bonds3

About 6-(3-chlorophenoxy)-5-nitropyridin-2-amine

6-(3-chlorophenoxy)-5-nitropyridin-2-amine (PubChem CID 80869741) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 6-(3-chlorophenoxy)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-chlorophenoxy)-5-nitropyridin-2-amine
PubChem CID80869741
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name6-(3-chlorophenoxy)-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C11H8ClN3O3/c12-7-2-1-3-8(6-7)18-11-9(15(16)17)4-5-10(13)14-11/h1-6H,(H2,13,14)
InChIKeyOALYJSCXKAVJNW-UHFFFAOYSA-N
XLogP3.02
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.02
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
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
5-nitro-6-quinolin-7-yloxypyridin-2-amine
CID 107315829
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
3-(5-chloro-2-nitrophenoxy)aniline
CID 113316446
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenoxy)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-chlorophenoxy)-5-nitropyridin-2-amine (CID 80869741) is 6-(3-chlorophenoxy)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-chlorophenoxy)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-chlorophenoxy)-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenoxy)-5-nitropyridin-2-amine?
The InChIKey is OALYJSCXKAVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-2-1-3-8(6-7)18-11-9(15(16)17)4-5-10(13)14-11/h1-6H,(H2,13,14).
What are the key properties of 6-(3-chlorophenoxy)-5-nitropyridin-2-amine?
6-(3-chlorophenoxy)-5-nitropyridin-2-amine has a molecular weight of 265.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenoxy)-5-nitropyridin-2-amine is sourced from PubChem (CID 80869741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).