2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine

C13H11ClN2O4 — CID 103201633

IUPAC2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
SMILESCOc1ccc(Oc2cc(Cl)ncc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-12(8)20-9-3-4-11(19-2)10(5-9)16(17)18/h3-7H,1-2H3
InChIKeySJEZIDDCWCLGGD-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine

2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine (PubChem CID 103201633) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
PubChem CID103201633
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
SMILESCOc1ccc(Oc2cc(Cl)ncc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-12(8)20-9-3-4-11(19-2)10(5-9)16(17)18/h3-7H,1-2H3
InChIKeySJEZIDDCWCLGGD-UHFFFAOYSA-N
XLogP3.75
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.75
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

4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine (CID 103201633) is 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine is COc1ccc(Oc2cc(Cl)ncc2C)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine?
The InChIKey is SJEZIDDCWCLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-12(8)20-9-3-4-11(19-2)10(5-9)16(17)18/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine?
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine has a molecular weight of 294.69 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine is sourced from PubChem (CID 103201633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).