6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine

C13H11ClN2O4 — CID 43330217

IUPAC6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
SMILESCOc1ccc(COc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O4/c1-19-10-4-2-9(3-5-10)8-20-13-11(16(17)18)6-7-12(14)15-13/h2-7H,8H2,1H3
InChIKeyCAJCRMBTKMUHQK-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.23
Rot. Bonds5

About 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine

6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine (PubChem CID 43330217) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
PubChem CID43330217
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
SMILESCOc1ccc(COc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11ClN2O4/c1-19-10-4-2-9(3-5-10)8-20-13-11(16(17)18)6-7-12(14)15-13/h2-7H,8H2,1H3
InChIKeyCAJCRMBTKMUHQK-UHFFFAOYSA-N
XLogP3.23
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.23
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-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
N-[2-[(6-chloro-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505475
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
3-bromo-2-fluoro-1-[(4-methoxyphenyl)methoxy]-4-nitrobenzene
CID 166491033
CID 154661760
CID 154661760

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine?
The IUPAC name of 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine (CID 43330217) is 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine?
The canonical SMILES for 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine is COc1ccc(COc2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine?
The InChIKey is CAJCRMBTKMUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-19-10-4-2-9(3-5-10)8-20-13-11(16(17)18)6-7-12(14)15-13/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine?
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine has a molecular weight of 294.69 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine is sourced from PubChem (CID 43330217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).