3-chloro-2-ethoxy-6-fluoropyridine

C7H7ClFNO — CID 53439486

IUPAC3-chloro-2-ethoxy-6-fluoropyridine
SMILESCCOc1nc(F)ccc1Cl
InChIInChI=1S/C7H7ClFNO/c1-2-11-7-5(8)3-4-6(9)10-7/h3-4H,2H2,1H3
InChIKeyJTKBICYGEFBLES-UHFFFAOYSA-N
MW175.59 g/mol
LogP2.27
Rot. Bonds2

About 3-chloro-2-ethoxy-6-fluoropyridine

3-chloro-2-ethoxy-6-fluoropyridine (PubChem CID 53439486) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 3-chloro-2-ethoxy-6-fluoropyridine.

Molecular Properties

Compound Name3-chloro-2-ethoxy-6-fluoropyridine
PubChem CID53439486
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name3-chloro-2-ethoxy-6-fluoropyridine
SMILESCCOc1nc(F)ccc1Cl
InChIInChI=1S/C7H7ClFNO/c1-2-11-7-5(8)3-4-6(9)10-7/h3-4H,2H2,1H3
InChIKeyJTKBICYGEFBLES-UHFFFAOYSA-N
XLogP2.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 52.27
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-chloro-2-ethoxy-6-fluoropyridine?
The IUPAC name of 3-chloro-2-ethoxy-6-fluoropyridine (CID 53439486) is 3-chloro-2-ethoxy-6-fluoropyridine.
What is the SMILES notation for 3-chloro-2-ethoxy-6-fluoropyridine?
The canonical SMILES for 3-chloro-2-ethoxy-6-fluoropyridine is CCOc1nc(F)ccc1Cl.
What is the InChIKey of 3-chloro-2-ethoxy-6-fluoropyridine?
The InChIKey is JTKBICYGEFBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-2-11-7-5(8)3-4-6(9)10-7/h3-4H,2H2,1H3.
What are the key properties of 3-chloro-2-ethoxy-6-fluoropyridine?
3-chloro-2-ethoxy-6-fluoropyridine has a molecular weight of 175.59 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethoxy-6-fluoropyridine is sourced from PubChem (CID 53439486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).