2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine

C19H12F3NOS — CID 21099463

IUPAC2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine
SMILESO=S(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H12F3NOS/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)25(24)19-4-2-1-3-17(19)21/h1-12H/b8-6+
InChIKeyOORCBDUKAGBPKM-SOFGYWHQSA-N
MW359.37 g/mol
LogP4.84
Rot. Bonds4

About 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine

2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine (PubChem CID 21099463) has the molecular formula C19H12F3NOS and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine.

Molecular Properties

Compound Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine
PubChem CID21099463
Molecular FormulaC19H12F3NOS
Molecular Weight359.37 g/mol
Exact Mass359.06
IUPAC Name2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine
SMILESO=S(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H12F3NOS/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)25(24)19-4-2-1-3-17(19)21/h1-12H/b8-6+
InChIKeyOORCBDUKAGBPKM-SOFGYWHQSA-N
XLogP4.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
3-[(3,5-Difluorophenyl)sulfonyl]-8-fluoro-4-(4-fluorophenyl)quinoline
CID 25168256
Phenyl 2-pyridylmethyl sulfone
CID 3321062
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
4-(2-Benzylsulfinylethyl)pyridine
CID 660677
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-[2,3'']bipyridinyl
CID 10199643

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine?
The IUPAC name of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine (CID 21099463) is 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine.
What is the SMILES notation for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine?
The canonical SMILES for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine is O=S(c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F.
What is the InChIKey of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine?
The InChIKey is OORCBDUKAGBPKM-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H12F3NOS/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)25(24)19-4-2-1-3-17(19)21/h1-12H/b8-6+.
What are the key properties of 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine?
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine has a molecular weight of 359.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfinylpyridine is sourced from PubChem (CID 21099463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).