(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one

C15H11BrFNO2S — CID 152907978

IUPAC(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
SMILESCSc1ccc(Oc2cncc(Br)c2)c2c1C(=O)[C@H](F)C2
InChIInChI=1S/C15H11BrFNO2S/c1-21-13-3-2-12(10-5-11(17)15(19)14(10)13)20-9-4-8(16)6-18-7-9/h2-4,6-7,11H,5H2,1H3/t11-/m1/s1
InChIKeyUGPZDHUYMYHRIH-LLVKDONJSA-N
MW368.23 g/mol
LogP4.44
Rot. Bonds3

About (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one

(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one (PubChem CID 152907978) has the molecular formula C15H11BrFNO2S and a molecular weight of 368.23 g/mol. Its IUPAC name is (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
PubChem CID152907978
Molecular FormulaC15H11BrFNO2S
Molecular Weight368.23 g/mol
Exact Mass366.97
IUPAC Name(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one
SMILESCSc1ccc(Oc2cncc(Br)c2)c2c1C(=O)[C@H](F)C2
InChIInChI=1S/C15H11BrFNO2S/c1-21-13-3-2-12(10-5-11(17)15(19)14(10)13)20-9-4-8(16)6-18-7-9/h2-4,6-7,11H,5H2,1H3/t11-/m1/s1
InChIKeyUGPZDHUYMYHRIH-LLVKDONJSA-N
XLogP4.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The IUPAC name of (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one (CID 152907978) is (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one is CSc1ccc(Oc2cncc(Br)c2)c2c1C(=O)[C@H](F)C2.
What is the InChIKey of (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
The InChIKey is UGPZDHUYMYHRIH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H11BrFNO2S/c1-21-13-3-2-12(10-5-11(17)15(19)14(10)13)20-9-4-8(16)6-18-7-9/h2-4,6-7,11H,5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one?
(2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one has a molecular weight of 368.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-bromo-3-pyridinyl)oxy]-2-fluoro-7-methylsulfanyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 152907978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).