5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine

C19H14ClNO2S — CID 69020435

IUPAC5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine
SMILESClc1ccc(Oc2ccc3c(c2)SCC(c2ccccc2)O3)nc1
InChIInChI=1S/C19H14ClNO2S/c20-14-6-9-19(21-11-14)22-15-7-8-16-18(10-15)24-12-17(23-16)13-4-2-1-3-5-13/h1-11,17H,12H2
InChIKeyLSVPHEKBZQZFCA-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.75
Rot. Bonds3

About 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine

5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine (PubChem CID 69020435) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine
PubChem CID69020435
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC Name5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine
SMILESClc1ccc(Oc2ccc3c(c2)SCC(c2ccccc2)O3)nc1
InChIInChI=1S/C19H14ClNO2S/c20-14-6-9-19(21-11-14)22-15-7-8-16-18(10-15)24-12-17(23-16)13-4-2-1-3-5-13/h1-11,17H,12H2
InChIKeyLSVPHEKBZQZFCA-UHFFFAOYSA-N
XLogP5.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
CID 45271062
5-chloro-2-[[2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69016028
5-chloro-2-[[2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017097
5-chloro-2-[[2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017124
5-chloro-2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017264
5-chloro-2-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017550
5-chloro-2-[[2-(2,6-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017775
5-chloro-2-[[2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69017904
5-chloro-2-[[2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69019467
5-chloro-2-[[2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
CID 69019841
2-[3-(Benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 2769043
2-[3-(Benzenesulfonyl)-4-{[3-(trifluoromethyl)phenyl]methoxy}phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 2769052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine?
The IUPAC name of 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine (CID 69020435) is 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine.
What is the SMILES notation for 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine?
The canonical SMILES for 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine is Clc1ccc(Oc2ccc3c(c2)SCC(c2ccccc2)O3)nc1.
What is the InChIKey of 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine?
The InChIKey is LSVPHEKBZQZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c20-14-6-9-19(21-11-14)22-15-7-8-16-18(10-15)24-12-17(23-16)13-4-2-1-3-5-13/h1-11,17H,12H2.
What are the key properties of 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine?
5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine has a molecular weight of 355.85 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine is sourced from PubChem (CID 69020435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).