5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine

C14H11ClFNO — CID 79728422

IUPAC5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine
SMILESFc1cc(Cl)cnc1OCC=Cc1ccccc1
InChIInChI=1S/C14H11ClFNO/c15-12-9-13(16)14(17-10-12)18-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeyVVZKGOMRXCDIGN-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.97
Rot. Bonds4

About 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine

5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine (PubChem CID 79728422) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine
PubChem CID79728422
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine
SMILESFc1cc(Cl)cnc1OCC=Cc1ccccc1
InChIInChI=1S/C14H11ClFNO/c15-12-9-13(16)14(17-10-12)18-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2
InChIKeyVVZKGOMRXCDIGN-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine (CID 79728422) is 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine is Fc1cc(Cl)cnc1OCC=Cc1ccccc1.
What is the InChIKey of 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine?
The InChIKey is VVZKGOMRXCDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-12-9-13(16)14(17-10-12)18-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2.
What are the key properties of 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine?
5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine has a molecular weight of 263.70 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine is sourced from PubChem (CID 79728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).