6-(2-chloro-4-nitrophenoxy)pyridin-3-amine

C11H8ClN3O3 — CID 114049044

IUPAC6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)nc1
InChIInChI=1S/C11H8ClN3O3/c12-9-5-8(15(16)17)2-3-10(9)18-11-4-1-7(13)6-14-11/h1-6H,13H2
InChIKeyZNNGMJSJCOXWEX-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.02
Rot. Bonds3

About 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine

6-(2-chloro-4-nitrophenoxy)pyridin-3-amine (PubChem CID 114049044) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
PubChem CID114049044
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name6-(2-chloro-4-nitrophenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)nc1
InChIInChI=1S/C11H8ClN3O3/c12-9-5-8(15(16)17)2-3-10(9)18-11-4-1-7(13)6-14-11/h1-6H,13H2
InChIKeyZNNGMJSJCOXWEX-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': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
5-chloro-2-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916898
1-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 86796225
6-[2-chloro-4-(pentafluoro-λ6-sulfanyl)phenoxy]pyridin-3-amine
CID 155134591
2-(2-chloro-4-nitrophenoxy)-5-iodopyrimidine
CID 113459430
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
ethyl 2-[3-chloro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]acetate
CID 70984993
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
CID 166540212
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine?
The IUPAC name of 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine (CID 114049044) is 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine is Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)nc1.
What is the InChIKey of 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine?
The InChIKey is ZNNGMJSJCOXWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-9-5-8(15(16)17)2-3-10(9)18-11-4-1-7(13)6-14-11/h1-6H,13H2.
What are the key properties of 6-(2-chloro-4-nitrophenoxy)pyridin-3-amine?
6-(2-chloro-4-nitrophenoxy)pyridin-3-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-(2-chloro-4-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 114049044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).