2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine

C18H13ClN2O4 — CID 155663614

IUPAC2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(Oc2ccc(Cl)nc2)cc1
InChIInChI=1S/C18H13ClN2O4/c1-12-10-13(21(22)23)2-8-17(12)25-15-5-3-14(4-6-15)24-16-7-9-18(19)20-11-16/h2-11H,1H3
InChIKeyWFLIVFYIRVZFCK-UHFFFAOYSA-N
MW356.77 g/mol
LogP5.54
Rot. Bonds5

About 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine

2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine (PubChem CID 155663614) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
PubChem CID155663614
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Name2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
SMILESCc1cc([N+](=O)[O-])ccc1Oc1ccc(Oc2ccc(Cl)nc2)cc1
InChIInChI=1S/C18H13ClN2O4/c1-12-10-13(21(22)23)2-8-17(12)25-15-5-3-14(4-6-15)24-16-7-9-18(19)20-11-16/h2-11H,1H3
InChIKeyWFLIVFYIRVZFCK-UHFFFAOYSA-N
XLogP5.54
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.77
LogP ≤ 55.54
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

N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
CID 69259295
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
[4-(2-methyl-4-nitrophenoxy)phenyl]carbamic acid
CID 69143527
2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
CID 133384127
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine?
The IUPAC name of 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine (CID 155663614) is 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine.
What is the SMILES notation for 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine?
The canonical SMILES for 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine is Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Oc2ccc(Cl)nc2)cc1.
What is the InChIKey of 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine?
The InChIKey is WFLIVFYIRVZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c1-12-10-13(21(22)23)2-8-17(12)25-15-5-3-14(4-6-15)24-16-7-9-18(19)20-11-16/h2-11H,1H3.
What are the key properties of 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine?
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine has a molecular weight of 356.77 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine is sourced from PubChem (CID 155663614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).