2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine

C13H11ClN2O3 — CID 83269016

IUPAC2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-10(16(17)18)5-11(8)19-12-6-13(14)15-7-9(12)2/h3-7H,1-2H3
InChIKeyMDIUYYKTBXSNCK-UHFFFAOYSA-N
MW278.70 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine

2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine (PubChem CID 83269016) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
PubChem CID83269016
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C
InChIInChI=1S/C13H11ClN2O3/c1-8-3-4-10(16(17)18)5-11(8)19-12-6-13(14)15-7-9(12)2/h3-7H,1-2H3
InChIKeyMDIUYYKTBXSNCK-UHFFFAOYSA-N
XLogP4.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 54.05
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

2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine?
The IUPAC name of 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine (CID 83269016) is 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])cc1Oc1cc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine?
The InChIKey is MDIUYYKTBXSNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-3-4-10(16(17)18)5-11(8)19-12-6-13(14)15-7-9(12)2/h3-7H,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine?
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine has a molecular weight of 278.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine is sourced from PubChem (CID 83269016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).