3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline

C13H12ClN3O3 — CID 61229474

IUPAC3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12ClN3O3/c1-16(2)9-4-3-5-10(8-9)20-13-11(17(18)19)6-7-12(14)15-13/h3-8H,1-2H3
InChIKeyVUDXIDKAUDCALS-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.50
Rot. Bonds4

About 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline

3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline (PubChem CID 61229474) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
PubChem CID61229474
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H12ClN3O3/c1-16(2)9-4-3-5-10(8-9)20-13-11(17(18)19)6-7-12(14)15-13/h3-8H,1-2H3
InChIKeyVUDXIDKAUDCALS-UHFFFAOYSA-N
XLogP3.50
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.50
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'}

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Related Compounds

6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
CID 61037209
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
6-(3-ethylphenoxy)-5-nitropyridin-2-amine
CID 80860522
5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline?
The IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline (CID 61229474) is 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline?
The InChIKey is VUDXIDKAUDCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16(2)9-4-3-5-10(8-9)20-13-11(17(18)19)6-7-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline?
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline has a molecular weight of 293.71 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline is sourced from PubChem (CID 61229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).