4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine

C18H17F2N3O — CID 170931486

IUPAC4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine
SMILESCC(C)(C)c1ccc(Oc2ccnc(-n3cc(F)cn3)c2)cc1F
InChIInChI=1S/C18H17F2N3O/c1-18(2,3)15-5-4-13(8-16(15)20)24-14-6-7-21-17(9-14)23-11-12(19)10-22-23/h4-11H,1-3H3
InChIKeyAORWHAWOBPGNJX-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.64
Rot. Bonds3

About 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine

4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine (PubChem CID 170931486) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine
PubChem CID170931486
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine
SMILESCC(C)(C)c1ccc(Oc2ccnc(-n3cc(F)cn3)c2)cc1F
InChIInChI=1S/C18H17F2N3O/c1-18(2,3)15-5-4-13(8-16(15)20)24-14-6-7-21-17(9-14)23-11-12(19)10-22-23/h4-11H,1-3H3
InChIKeyAORWHAWOBPGNJX-UHFFFAOYSA-N
XLogP4.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine?
The IUPAC name of 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine (CID 170931486) is 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine?
The canonical SMILES for 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine is CC(C)(C)c1ccc(Oc2ccnc(-n3cc(F)cn3)c2)cc1F.
What is the InChIKey of 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine?
The InChIKey is AORWHAWOBPGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-18(2,3)15-5-4-13(8-16(15)20)24-14-6-7-21-17(9-14)23-11-12(19)10-22-23/h4-11H,1-3H3.
What are the key properties of 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine?
4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine has a molecular weight of 329.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3-fluorophenoxy)-2-(4-fluoropyrazol-1-yl)pyridine is sourced from PubChem (CID 170931486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).