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

C13H11ClN2O4 — CID 83268776

IUPAC2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C
InChIInChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-11(8)20-12-5-9(16(17)18)3-4-10(12)19-2/h3-7H,1-2H3
InChIKeyDHJGSSDROLDFNX-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.75
Rot. Bonds4

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

2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine (PubChem CID 83268776) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
PubChem CID83268776
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C
InChIInChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-11(8)20-12-5-9(16(17)18)3-4-10(12)19-2/h3-7H,1-2H3
InChIKeyDHJGSSDROLDFNX-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

2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
5-chloro-4-(2-methoxy-5-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676324
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine (CID 83268776) is 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine is COc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine?
The InChIKey is DHJGSSDROLDFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8-7-15-13(14)6-11(8)20-12-5-9(16(17)18)3-4-10(12)19-2/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine?
2-chloro-4-(2-methoxy-5-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-(2-methoxy-5-nitrophenoxy)-5-methylpyridine is sourced from PubChem (CID 83268776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).