2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine

C12H8Cl2N2O3 — CID 114070707

IUPAC2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(OCc2ccccc2Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-4-2-1-3-8(10)7-19-12-6-9(16(17)18)5-11(14)15-12/h1-6H,7H2
InChIKeyCMOJZHDSULNEPA-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine

2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine (PubChem CID 114070707) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
PubChem CID114070707
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(OCc2ccccc2Cl)c1
InChIInChI=1S/C12H8Cl2N2O3/c13-10-4-2-1-3-8(10)7-19-12-6-9(16(17)18)5-11(14)15-12/h1-6H,7H2
InChIKeyCMOJZHDSULNEPA-UHFFFAOYSA-N
XLogP3.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
CID 80544536
1-bromo-2-[(2-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235955
2-chloro-6-(2,5-dichlorophenoxy)-4-nitropyridine
CID 114070718
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
2,6-dichloro-3-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 106994564
methyl 2-[(2-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681745
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
CID 114070716
2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
CID 63885664
1-[(2-chlorophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 62664888
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 79242700

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine?
The IUPAC name of 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine (CID 114070707) is 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine?
The canonical SMILES for 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine?
The InChIKey is CMOJZHDSULNEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c13-10-4-2-1-3-8(10)7-19-12-6-9(16(17)18)5-11(14)15-12/h1-6H,7H2.
What are the key properties of 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine?
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine has a molecular weight of 299.11 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine is sourced from PubChem (CID 114070707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).