6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole

C19H13FN2S — CID 138963073

IUPAC6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESFc1ccc2cc(Sc3ccccc3)n(-c3ccccn3)c2c1
InChIInChI=1S/C19H13FN2S/c20-15-10-9-14-12-19(23-16-6-2-1-3-7-16)22(17(14)13-15)18-8-4-5-11-21-18/h1-13H
InChIKeySSKTVDHMUULEJR-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.32
Rot. Bonds3

About 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole

6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole (PubChem CID 138963073) has the molecular formula C19H13FN2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole
PubChem CID138963073
Molecular FormulaC19H13FN2S
Molecular Weight320.39 g/mol
Exact Mass320.08
IUPAC Name6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESFc1ccc2cc(Sc3ccccc3)n(-c3ccccn3)c2c1
InChIInChI=1S/C19H13FN2S/c20-15-10-9-14-12-19(23-16-6-2-1-3-7-16)22(17(14)13-15)18-8-4-5-11-21-18/h1-13H
InChIKeySSKTVDHMUULEJR-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-Fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
2-[(2-Fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
CID 649231
8-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10808909
8-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 11793287
3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 60147996
N-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-amine
CID 3447990
N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
CID 54581036
6-fluoro-N-[2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]ethyl]-1,3-benzothiazol-2-amine
CID 118372798
4-(butylsulfanyl)-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 3596182
3-(1,3-benzothiazol-2-yl)-N,N-dimethyl-2-pyridinamine
CID 1488406
({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)methanimidamide
CID 2049424
2-Phenyl-3-phenylsulfanylindolizine
CID 3532301

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole?
The IUPAC name of 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole (CID 138963073) is 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole.
What is the SMILES notation for 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole?
The canonical SMILES for 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole is Fc1ccc2cc(Sc3ccccc3)n(-c3ccccn3)c2c1.
What is the InChIKey of 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole?
The InChIKey is SSKTVDHMUULEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2S/c20-15-10-9-14-12-19(23-16-6-2-1-3-7-16)22(17(14)13-15)18-8-4-5-11-21-18/h1-13H.
What are the key properties of 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole?
6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole has a molecular weight of 320.39 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-phenylsulfanyl-1-pyridin-2-ylindole is sourced from PubChem (CID 138963073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).