Cas no 866318-99-2 (1H-Pyrrolo[2,3-b]pyridine,5-fluoro-1-[(4-methylphenyl)sulfonyl]-)
866318-99-2 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine,5-fluoro-1-[(4-methylphenyl)sulfonyl]-
CAS No:866318-99-2
MF:C14H11FN2O2S
MW:290.312745332718
CID:718854
PubChem ID:49758889
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine,5-fluoro-1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine,5-fluoro-1-[(4-methylphenyl)sulfonyl]-
- 5-fluoro-1-tosyl-1H-pyrrolo [2,3-b]pyridine
- 5-fluoro-1-(5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
- 5-fluoro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
- Uracil,1-(2,3-dideoxy-b-D-glycero-pentofuranosyl)-5-fluoro-(8CI)
- Uridine,2',3'-dideoxy-5-fluoro-(9CI)
- 1H-PYRROLO[2,3-B]PYRIDINE, 5-FLUORO-1-[(4-METHYLPHENYL)SULFONYL]-
- 866318-99-2
- PCGDTHBAHOVVRW-UHFFFAOYSA-N
- 5-Fluoro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
- 5-fluoro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- F71076
- SCHEMBL1749037
-
- Inchi: 1S/C14H11FN2O2S/c1-10-2-4-13(5-3-10)20(18,19)17-7-6-11-8-12(15)9-16-14(11)17/h2-9H,1H3
- InChI Key: PCGDTHBAHOVVRW-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(N1C=CC2=CC(=CN=C12)F)(=O)=O
Computed Properties
- Exact Mass: 290.05300
- Monoisotopic Mass: 290.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 443
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.3A^2
- XLogP3: 3
Experimental Properties
- Density: 1.38
- Boiling Point: 473.2°C at 760 mmHg
- Flash Point: 240°C
- Refractive Index: 1.641
- PSA: 60.34000
- LogP: 3.80160
1H-Pyrrolo[2,3-b]pyridine,5-fluoro-1-[(4-methylphenyl)sulfonyl]- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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