5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine

C17H11ClF2N2O — CID 66936903

IUPAC5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine
SMILESFc1cccc(COc2cccc(-c3cc(F)ncc3Cl)n2)c1
InChIInChI=1S/C17H11ClF2N2O/c18-14-9-21-16(20)8-13(14)15-5-2-6-17(22-15)23-10-11-3-1-4-12(19)7-11/h1-9H,10H2
InChIKeyZBLSJWGLDQKUBV-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.65
Rot. Bonds4

About 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine

5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine (PubChem CID 66936903) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine
PubChem CID66936903
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine
SMILESFc1cccc(COc2cccc(-c3cc(F)ncc3Cl)n2)c1
InChIInChI=1S/C17H11ClF2N2O/c18-14-9-21-16(20)8-13(14)15-5-2-6-17(22-15)23-10-11-3-1-4-12(19)7-11/h1-9H,10H2
InChIKeyZBLSJWGLDQKUBV-UHFFFAOYSA-N
XLogP4.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.65
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 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine?
The IUPAC name of 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine (CID 66936903) is 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine?
The canonical SMILES for 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine is Fc1cccc(COc2cccc(-c3cc(F)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine?
The InChIKey is ZBLSJWGLDQKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c18-14-9-21-16(20)8-13(14)15-5-2-6-17(22-15)23-10-11-3-1-4-12(19)7-11/h1-9H,10H2.
What are the key properties of 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine?
5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine has a molecular weight of 332.74 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridine is sourced from PubChem (CID 66936903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).