3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine

C24H17ClFNO — CID 174448364

IUPAC3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
SMILESFc1cc(OCc2ccccc2-c2ccncc2Cl)ccc1-c1ccccc1
InChIInChI=1S/C24H17ClFNO/c25-23-15-27-13-12-22(23)20-9-5-4-8-18(20)16-28-19-10-11-21(24(26)14-19)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyYGWRSFUXGBLIFL-UHFFFAOYSA-N
MW389.86 g/mol
LogP6.79
Rot. Bonds5

About 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine

3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine (PubChem CID 174448364) has the molecular formula C24H17ClFNO and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
PubChem CID174448364
Molecular FormulaC24H17ClFNO
Molecular Weight389.86 g/mol
Exact Mass389.10
IUPAC Name3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine
SMILESFc1cc(OCc2ccccc2-c2ccncc2Cl)ccc1-c1ccccc1
InChIInChI=1S/C24H17ClFNO/c25-23-15-27-13-12-22(23)20-9-5-4-8-18(20)16-28-19-10-11-21(24(26)14-19)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyYGWRSFUXGBLIFL-UHFFFAOYSA-N
XLogP6.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.86
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine?
The IUPAC name of 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine (CID 174448364) is 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine is Fc1cc(OCc2ccccc2-c2ccncc2Cl)ccc1-c1ccccc1.
What is the InChIKey of 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine?
The InChIKey is YGWRSFUXGBLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO/c25-23-15-27-13-12-22(23)20-9-5-4-8-18(20)16-28-19-10-11-21(24(26)14-19)17-6-2-1-3-7-17/h1-15H,16H2.
What are the key properties of 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine?
3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine has a molecular weight of 389.86 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-[(3-fluoro-4-phenylphenoxy)methyl]phenyl]pyridine is sourced from PubChem (CID 174448364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).