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

C20H14ClF2NO2 — CID 69017097

IUPAC5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1cc(F)cc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)c1
InChIInChI=1S/C20H14ClF2NO2/c21-14-2-6-20(24-11-14)25-17-3-5-18-12(9-17)1-4-19(26-18)13-7-15(22)10-16(23)8-13/h2-3,5-11,19H,1,4H2
InChIKeyKYERYPRSZXXJJA-UHFFFAOYSA-N
MW373.79 g/mol
LogP5.87
Rot. Bonds3

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

5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (PubChem CID 69017097) has the molecular formula C20H14ClF2NO2 and a molecular weight of 373.79 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
PubChem CID69017097
Molecular FormulaC20H14ClF2NO2
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESFc1cc(F)cc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)c1
InChIInChI=1S/C20H14ClF2NO2/c21-14-2-6-20(24-11-14)25-17-3-5-18-12(9-17)1-4-19(26-18)13-7-15(22)10-16(23)8-13/h2-3,5-11,19H,1,4H2
InChIKeyKYERYPRSZXXJJA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The IUPAC name of 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (CID 69017097) is 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The canonical SMILES for 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is Fc1cc(F)cc(C2CCc3cc(Oc4ccc(Cl)cn4)ccc3O2)c1.
What is the InChIKey of 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The InChIKey is KYERYPRSZXXJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO2/c21-14-2-6-20(24-11-14)25-17-3-5-18-12(9-17)1-4-19(26-18)13-7-15(22)10-16(23)8-13/h2-3,5-11,19H,1,4H2.
What are the key properties of 5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
5-chloro-2-[[2-(3,5-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-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is sourced from PubChem (CID 69017097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).