3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine

C12H8Cl2N2O3 — CID 133087531

IUPAC3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(5-8(6-15-12)16(17)18)9-4-7(13)2-3-11(9)14/h2-6H,1H3
InChIKeyMNDJDZBGXBTISI-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.97
Rot. Bonds3

About 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine

3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine (PubChem CID 133087531) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
PubChem CID133087531
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(5-8(6-15-12)16(17)18)9-4-7(13)2-3-11(9)14/h2-6H,1H3
InChIKeyMNDJDZBGXBTISI-UHFFFAOYSA-N
XLogP3.97
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.97
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-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
2-[(3-bromo-5-nitro-2-pyridinyl)oxy]-5-chlorobenzoic acid
CID 79531145
3-methoxy-2-(4-methylpentoxy)-5-nitropyridine
CID 58153349
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine (CID 133087531) is 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine is COc1ncc([N+](=O)[O-])cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine?
The InChIKey is MNDJDZBGXBTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-19-12-10(5-8(6-15-12)16(17)18)9-4-7(13)2-3-11(9)14/h2-6H,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine?
3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine has a molecular weight of 299.11 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine is sourced from PubChem (CID 133087531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).