3,5-dichloro-4-ethoxy-2-fluoropyridine

C7H6Cl2FNO — CID 21464398

IUPAC3,5-dichloro-4-ethoxy-2-fluoropyridine
SMILESCCOc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C7H6Cl2FNO/c1-2-12-6-4(8)3-11-7(10)5(6)9/h3H,2H2,1H3
InChIKeyRJQKBZDWUIDVIR-UHFFFAOYSA-N
MW210.03 g/mol
LogP2.93
Rot. Bonds2

About 3,5-dichloro-4-ethoxy-2-fluoropyridine

3,5-dichloro-4-ethoxy-2-fluoropyridine (PubChem CID 21464398) has the molecular formula C7H6Cl2FNO and a molecular weight of 210.03 g/mol. Its IUPAC name is 3,5-dichloro-4-ethoxy-2-fluoropyridine.

Molecular Properties

Compound Name3,5-dichloro-4-ethoxy-2-fluoropyridine
PubChem CID21464398
Molecular FormulaC7H6Cl2FNO
Molecular Weight210.03 g/mol
Exact Mass208.98
IUPAC Name3,5-dichloro-4-ethoxy-2-fluoropyridine
SMILESCCOc1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C7H6Cl2FNO/c1-2-12-6-4(8)3-11-7(10)5(6)9/h3H,2H2,1H3
InChIKeyRJQKBZDWUIDVIR-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,5-dichloro-4-ethoxy-2-fluoropyridine?
The IUPAC name of 3,5-dichloro-4-ethoxy-2-fluoropyridine (CID 21464398) is 3,5-dichloro-4-ethoxy-2-fluoropyridine.
What is the SMILES notation for 3,5-dichloro-4-ethoxy-2-fluoropyridine?
The canonical SMILES for 3,5-dichloro-4-ethoxy-2-fluoropyridine is CCOc1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-4-ethoxy-2-fluoropyridine?
The InChIKey is RJQKBZDWUIDVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2FNO/c1-2-12-6-4(8)3-11-7(10)5(6)9/h3H,2H2,1H3.
What are the key properties of 3,5-dichloro-4-ethoxy-2-fluoropyridine?
3,5-dichloro-4-ethoxy-2-fluoropyridine has a molecular weight of 210.03 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethoxy-2-fluoropyridine is sourced from PubChem (CID 21464398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).