5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine

C20H15ClFNO2 — CID 69017550

IUPAC5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccccc1C1CCc2cc(Oc3ccc(Cl)cn3)ccc2O1
InChIInChI=1S/C20H15ClFNO2/c21-14-6-10-20(23-12-14)24-15-7-9-18-13(11-15)5-8-19(25-18)16-3-1-2-4-17(16)22/h1-4,6-7,9-12,19H,5,8H2
InChIKeyQSKFRVQVGMAGRP-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.73
Rot. Bonds3

About 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine

5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (PubChem CID 69017550) has the molecular formula C20H15ClFNO2 and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
PubChem CID69017550
Molecular FormulaC20H15ClFNO2
Molecular Weight355.80 g/mol
Exact Mass355.08
IUPAC Name5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccccc1C1CCc2cc(Oc3ccc(Cl)cn3)ccc2O1
InChIInChI=1S/C20H15ClFNO2/c21-14-6-10-20(23-12-14)24-15-7-9-18-13(11-15)5-8-19(25-18)16-3-1-2-4-17(16)22/h1-4,6-7,9-12,19H,5,8H2
InChIKeyQSKFRVQVGMAGRP-UHFFFAOYSA-N
XLogP5.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The IUPAC name of 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (CID 69017550) is 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The canonical SMILES for 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is Fc1ccccc1C1CCc2cc(Oc3ccc(Cl)cn3)ccc2O1.
What is the InChIKey of 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The InChIKey is QSKFRVQVGMAGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO2/c21-14-6-10-20(23-12-14)24-15-7-9-18-13(11-15)5-8-19(25-18)16-3-1-2-4-17(16)22/h1-4,6-7,9-12,19H,5,8H2.
What are the key properties of 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine has a molecular weight of 355.80 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is sourced from PubChem (CID 69017550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).