4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine

C19H16FNO — CID 118735175

IUPAC4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine
SMILESFc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16FNO/c20-17-6-7-18(16-8-11-21-12-9-16)19(14-17)22-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyKDRBDEJFXQUCNW-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.51
Rot. Bonds5

About 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine

4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine (PubChem CID 118735175) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine
PubChem CID118735175
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine
SMILESFc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C19H16FNO/c20-17-6-7-18(16-8-11-21-12-9-16)19(14-17)22-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2
InChIKeyKDRBDEJFXQUCNW-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine?
The IUPAC name of 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine (CID 118735175) is 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine.
What is the SMILES notation for 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine?
The canonical SMILES for 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine is Fc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine?
The InChIKey is KDRBDEJFXQUCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c20-17-6-7-18(16-8-11-21-12-9-16)19(14-17)22-13-10-15-4-2-1-3-5-15/h1-9,11-12,14H,10,13H2.
What are the key properties of 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine?
4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine has a molecular weight of 293.34 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(2-phenylethoxy)phenyl]pyridine is sourced from PubChem (CID 118735175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).