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

C20H14ClF2NO2 — CID 69017124

IUPAC5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1F
InChIInChI=1S/C20H14ClF2NO2/c21-14-3-8-20(24-11-14)25-15-4-7-19-12(9-15)2-6-18(26-19)13-1-5-16(22)17(23)10-13/h1,3-5,7-11,18H,2,6H2
InChIKeyHBWVHYVIORURQW-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.87
Rot. Bonds3

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

5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (PubChem CID 69017124) has the molecular formula C20H14ClF2NO2 and a molecular weight of 373.79 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
PubChem CID69017124
Molecular FormulaC20H14ClF2NO2
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1F
InChIInChI=1S/C20H14ClF2NO2/c21-14-3-8-20(24-11-14)25-15-4-7-19-12(9-15)2-6-18(26-19)13-1-5-16(22)17(23)10-13/h1,3-5,7-11,18H,2,6H2
InChIKeyHBWVHYVIORURQW-UHFFFAOYSA-N
XLogP5.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.79
LogP ≤ 55.87
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-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The IUPAC name of 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (CID 69017124) is 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The canonical SMILES for 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is Fc1ccc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)cc1F.
What is the InChIKey of 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The InChIKey is HBWVHYVIORURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO2/c21-14-3-8-20(24-11-14)25-15-4-7-19-12(9-15)2-6-18(26-19)13-1-5-16(22)17(23)10-13/h1,3-5,7-11,18H,2,6H2.
What are the key properties of 5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine has a molecular weight of 373.79 g/mol, XLogP of 5.87, 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-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is sourced from PubChem (CID 69017124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).