4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol

C15H12BrF2NO2S — CID 138637741

IUPAC4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
SMILESCSc1ccc(Oc2cncc(Br)c2)c2c1C(O)C(F)(F)C2
InChIInChI=1S/C15H12BrF2NO2S/c1-22-12-3-2-11(21-9-4-8(16)6-19-7-9)10-5-15(17,18)14(20)13(10)12/h2-4,6-7,14,20H,5H2,1H3
InChIKeyFYYITRWEACZUKD-UHFFFAOYSA-N
MW388.23 g/mol
LogP4.58
Rot. Bonds3

About 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol

4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol (PubChem CID 138637741) has the molecular formula C15H12BrF2NO2S and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
PubChem CID138637741
Molecular FormulaC15H12BrF2NO2S
Molecular Weight388.23 g/mol
Exact Mass386.97
IUPAC Name4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
SMILESCSc1ccc(Oc2cncc(Br)c2)c2c1C(O)C(F)(F)C2
InChIInChI=1S/C15H12BrF2NO2S/c1-22-12-3-2-11(21-9-4-8(16)6-19-7-9)10-5-15(17,18)14(20)13(10)12/h2-4,6-7,14,20H,5H2,1H3
InChIKeyFYYITRWEACZUKD-UHFFFAOYSA-N
XLogP4.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[[2,2-difluoro-7-(fluoromethylsulfanyl)-1-hydroxy-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 138637743
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
4-[(5-chloro-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 138638033
2,2-difluoro-4-(1-methylpyrazol-4-yl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
CID 144804901
3-[[2,2-difluoro-1-hydroxy-7-(2-hydroxyethylsulfanyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 138637658
(1R)-1-[4-[(5-bromo-3-pyridinyl)oxy]-3-fluorophenyl]ethanamine
CID 78962755
1-[(3S)-2,2-difluoro-7-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-1,3-dihydroinden-4-yl]-3-(trifluoromethyl)-9H-fluorene-2-sulfonic acid
CID 151996868
6-[(5-bromo-3-pyridinyl)oxy]-7-(difluoromethyl)-2,2,3,3-tetrafluoroinden-1-one
CID 166903866
3-[[(1S)-2,2-difluoro-1-hydroxy-7-propan-2-ylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 164715202
4-bromo-2,2-difluoro-5-[(5-methoxy-3-pyridinyl)oxy]-1,1-dioxo-3H-1-benzothiophen-3-ol
CID 123388395
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzamide
CID 82804888

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol (CID 138637741) is 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol is CSc1ccc(Oc2cncc(Br)c2)c2c1C(O)C(F)(F)C2.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol?
The InChIKey is FYYITRWEACZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2S/c1-22-12-3-2-11(21-9-4-8(16)6-19-7-9)10-5-15(17,18)14(20)13(10)12/h2-4,6-7,14,20H,5H2,1H3.
What are the key properties of 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol?
4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol has a molecular weight of 388.23 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol is sourced from PubChem (CID 138637741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).