6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine

C14H11Cl3N2O4 — CID 44620882

IUPAC6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine
SMILESCc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
InChIKeyCLAHWMCGEBXKHS-UHFFFAOYSA-N
MW377.61 g/mol
LogP4.72
Rot. Bonds6

About 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine

6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine (PubChem CID 44620882) has the molecular formula C14H11Cl3N2O4 and a molecular weight of 377.61 g/mol. Its IUPAC name is 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine
PubChem CID44620882
Molecular FormulaC14H11Cl3N2O4
Molecular Weight377.61 g/mol
Exact Mass375.98
IUPAC Name6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine
SMILESCc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3
InChIKeyCLAHWMCGEBXKHS-UHFFFAOYSA-N
XLogP4.72
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine?
The IUPAC name of 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine (CID 44620882) is 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine.
What is the SMILES notation for 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine?
The canonical SMILES for 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine is Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine?
The InChIKey is CLAHWMCGEBXKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O4/c1-8-2-3-12(14(18-8)19(20)21)22-4-5-23-13-10(16)6-9(15)7-11(13)17/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine?
6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine has a molecular weight of 377.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-nitro-3-[2-(2,4,6-trichlorophenoxy)ethoxy]pyridine is sourced from PubChem (CID 44620882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).