4-(2,5-dichlorophenoxy)-3-nitropyridine

C11H6Cl2N2O3 — CID 52840234

IUPAC4-(2,5-dichlorophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-7-1-2-8(13)11(5-7)18-10-3-4-14-6-9(10)15(16)17/h1-6H
InChIKeyDIDXNNOKBJADCL-UHFFFAOYSA-N
MW285.09 g/mol
LogP4.09
Rot. Bonds3

About 4-(2,5-dichlorophenoxy)-3-nitropyridine

4-(2,5-dichlorophenoxy)-3-nitropyridine (PubChem CID 52840234) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-3-nitropyridine.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-3-nitropyridine
PubChem CID52840234
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name4-(2,5-dichlorophenoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-7-1-2-8(13)11(5-7)18-10-3-4-14-6-9(10)15(16)17/h1-6H
InChIKeyDIDXNNOKBJADCL-UHFFFAOYSA-N
XLogP4.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-chloro-2-nitrophenoxy)pyridine-4-carbonitrile
CID 114287950
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
4-(2-chloro-5-nitrophenoxy)pyridine-3-carboxylic acid
CID 81225444
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
4-(2-tert-butylphenoxy)-3-nitropyridine
CID 59857443
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
CID 114070718
3-[(5-chloro-2-nitrophenoxy)methyl]pyridine
CID 78976903

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-3-nitropyridine?
The IUPAC name of 4-(2,5-dichlorophenoxy)-3-nitropyridine (CID 52840234) is 4-(2,5-dichlorophenoxy)-3-nitropyridine.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-3-nitropyridine?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-3-nitropyridine is O=[N+]([O-])c1cnccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-3-nitropyridine?
The InChIKey is DIDXNNOKBJADCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-7-1-2-8(13)11(5-7)18-10-3-4-14-6-9(10)15(16)17/h1-6H.
What are the key properties of 4-(2,5-dichlorophenoxy)-3-nitropyridine?
4-(2,5-dichlorophenoxy)-3-nitropyridine has a molecular weight of 285.09 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-3-nitropyridine is sourced from PubChem (CID 52840234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).