4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine

C17H11ClF3N3O — CID 135235928

IUPAC4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2cncc(F)c2Cl)cn1
InChIInChI=1S/C17H11ClF3N3O/c1-17(20,21)14-5-4-10(7-24-14)25-16-11(3-2-6-23-16)12-8-22-9-13(19)15(12)18/h2-9H,1H3
InChIKeyWFROKVZRMWMROG-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.24
Rot. Bonds4

About 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine

4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine (PubChem CID 135235928) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine.

Molecular Properties

Compound Name4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine
PubChem CID135235928
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine
SMILESCC(F)(F)c1ccc(Oc2ncccc2-c2cncc(F)c2Cl)cn1
InChIInChI=1S/C17H11ClF3N3O/c1-17(20,21)14-5-4-10(7-24-14)25-16-11(3-2-6-23-16)12-8-22-9-13(19)15(12)18/h2-9H,1H3
InChIKeyWFROKVZRMWMROG-UHFFFAOYSA-N
XLogP5.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine?
The IUPAC name of 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine (CID 135235928) is 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine.
What is the SMILES notation for 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine?
The canonical SMILES for 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine is CC(F)(F)c1ccc(Oc2ncccc2-c2cncc(F)c2Cl)cn1.
What is the InChIKey of 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine?
The InChIKey is WFROKVZRMWMROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c1-17(20,21)14-5-4-10(7-24-14)25-16-11(3-2-6-23-16)12-8-22-9-13(19)15(12)18/h2-9H,1H3.
What are the key properties of 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine?
4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine has a molecular weight of 365.74 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoropyridine is sourced from PubChem (CID 135235928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).