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

C20H15ClFNO2 — CID 69016028

IUPAC5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1
InChIInChI=1S/C20H15ClFNO2/c21-15-4-10-20(23-12-15)24-17-7-9-19-14(11-17)3-8-18(25-19)13-1-5-16(22)6-2-13/h1-2,4-7,9-12,18H,3,8H2
InChIKeyNYYICARKUJTMAC-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.73
Rot. Bonds3

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

5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (PubChem CID 69016028) has the molecular formula C20H15ClFNO2 and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
PubChem CID69016028
Molecular FormulaC20H15ClFNO2
Molecular Weight355.80 g/mol
Exact Mass355.08
IUPAC Name5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1
InChIInChI=1S/C20H15ClFNO2/c21-15-4-10-20(23-12-15)24-17-7-9-19-14(11-17)3-8-18(25-19)13-1-5-16(22)6-2-13/h1-2,4-7,9-12,18H,3,8H2
InChIKeyNYYICARKUJTMAC-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-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The IUPAC name of 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (CID 69016028) is 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The canonical SMILES for 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is Fc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1.
What is the InChIKey of 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The InChIKey is NYYICARKUJTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO2/c21-15-4-10-20(23-12-15)24-17-7-9-19-14(11-17)3-8-18(25-19)13-1-5-16(22)6-2-13/h1-2,4-7,9-12,18H,3,8H2.
What are the key properties of 5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
5-chloro-2-[[2-(4-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-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is sourced from PubChem (CID 69016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).