6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine

C18H14Cl2FNO2 — CID 142465460

IUPAC6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine
SMILESCCOc1ccc(COc2cccc3c(Cl)c(Cl)ccc23)nc1F
InChIInChI=1S/C18H14Cl2FNO2/c1-2-23-16-9-6-11(22-18(16)21)10-24-15-5-3-4-13-12(15)7-8-14(19)17(13)20/h3-9H,2,10H2,1H3
InChIKeyKPJZULHRLSPKPU-UHFFFAOYSA-N
MW366.22 g/mol
LogP5.66
Rot. Bonds5

About 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine

6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine (PubChem CID 142465460) has the molecular formula C18H14Cl2FNO2 and a molecular weight of 366.22 g/mol. Its IUPAC name is 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine.

Molecular Properties

Compound Name6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine
PubChem CID142465460
Molecular FormulaC18H14Cl2FNO2
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine
SMILESCCOc1ccc(COc2cccc3c(Cl)c(Cl)ccc23)nc1F
InChIInChI=1S/C18H14Cl2FNO2/c1-2-23-16-9-6-11(22-18(16)21)10-24-15-5-3-4-13-12(15)7-8-14(19)17(13)20/h3-9H,2,10H2,1H3
InChIKeyKPJZULHRLSPKPU-UHFFFAOYSA-N
XLogP5.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine?
The IUPAC name of 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine (CID 142465460) is 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine.
What is the SMILES notation for 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine?
The canonical SMILES for 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine is CCOc1ccc(COc2cccc3c(Cl)c(Cl)ccc23)nc1F.
What is the InChIKey of 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine?
The InChIKey is KPJZULHRLSPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FNO2/c1-2-23-16-9-6-11(22-18(16)21)10-24-15-5-3-4-13-12(15)7-8-14(19)17(13)20/h3-9H,2,10H2,1H3.
What are the key properties of 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine?
6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine has a molecular weight of 366.22 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dichloronaphthalen-1-yl)oxymethyl]-3-ethoxy-2-fluoropyridine is sourced from PubChem (CID 142465460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).