8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline

C14H8ClN3O3 — CID 61057607

IUPAC8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1cccc2cccnc12
InChIInChI=1S/C14H8ClN3O3/c15-12-7-6-10(18(19)20)14(17-12)21-11-5-1-3-9-4-2-8-16-13(9)11/h1-8H
InChIKeyJHGAPZHBRCWEAX-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.98
Rot. Bonds3

About 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline

8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline (PubChem CID 61057607) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
PubChem CID61057607
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC Name8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
SMILESO=[N+]([O-])c1ccc(Cl)nc1Oc1cccc2cccnc12
InChIInChI=1S/C14H8ClN3O3/c15-12-7-6-10(18(19)20)14(17-12)21-11-5-1-3-9-4-2-8-16-13(9)11/h1-8H
InChIKeyJHGAPZHBRCWEAX-UHFFFAOYSA-N
XLogP3.98
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
8-(2,4-dinitrophenoxy)quinoline
CID 1422298
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]quinoline
CID 751552
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
N-methyl-7-nitroquinolin-8-amine
CID 131339088
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline?
The IUPAC name of 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline (CID 61057607) is 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline.
What is the SMILES notation for 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline?
The canonical SMILES for 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline is O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc2cccnc12.
What is the InChIKey of 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline?
The InChIKey is JHGAPZHBRCWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-12-7-6-10(18(19)20)14(17-12)21-11-5-1-3-9-4-2-8-16-13(9)11/h1-8H.
What are the key properties of 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline?
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline has a molecular weight of 301.69 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline is sourced from PubChem (CID 61057607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).