2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine

C13H11ClF2N2O — CID 171537887

IUPAC2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine
SMILESCC(F)(F)Cc1cncc(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H11ClF2N2O/c1-13(15,16)6-9-4-11(8-17-7-9)19-10-2-3-18-12(14)5-10/h2-5,7-8H,6H2,1H3
InChIKeyWEJSLPURYURTMS-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine

2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine (PubChem CID 171537887) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine
PubChem CID171537887
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine
SMILESCC(F)(F)Cc1cncc(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H11ClF2N2O/c1-13(15,16)6-9-4-11(8-17-7-9)19-10-2-3-18-12(14)5-10/h2-5,7-8H,6H2,1H3
InChIKeyWEJSLPURYURTMS-UHFFFAOYSA-N
XLogP4.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 54.12
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 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine?
The IUPAC name of 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine (CID 171537887) is 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine?
The canonical SMILES for 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine is CC(F)(F)Cc1cncc(Oc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine?
The InChIKey is WEJSLPURYURTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-13(15,16)6-9-4-11(8-17-7-9)19-10-2-3-18-12(14)5-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine?
2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine has a molecular weight of 284.69 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine is sourced from PubChem (CID 171537887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).