(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite

C12H6ClF2N3S — CID 176678737

IUPAC(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite
SMILESFSn1c(Cl)nc2nc(-c3ccccc3)c(F)cc21
InChIInChI=1S/C12H6ClF2N3S/c13-12-17-11-9(18(12)19-15)6-8(14)10(16-11)7-4-2-1-3-5-7/h1-6H
InChIKeyGHKGPMKMMBMCJL-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.27
Rot. Bonds2

About (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite

(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite (PubChem CID 176678737) has the molecular formula C12H6ClF2N3S and a molecular weight of 297.72 g/mol. Its IUPAC name is (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite
PubChem CID176678737
Molecular FormulaC12H6ClF2N3S
Molecular Weight297.72 g/mol
Exact Mass296.99
IUPAC Name(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite
SMILESFSn1c(Cl)nc2nc(-c3ccccc3)c(F)cc21
InChIInChI=1S/C12H6ClF2N3S/c13-12-17-11-9(18(12)19-15)6-8(14)10(16-11)7-4-2-1-3-5-7/h1-6H
InChIKeyGHKGPMKMMBMCJL-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane
CID 178060624
3-[3,5-bis(1-phenylimidazo[1,5-a]pyridin-3-yl)phenyl]-1-phenylimidazo[1,5-a]pyridine
CID 132506865
3-(2-fluorophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 132581650
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
2-chloro-6-fluoro-4-phenylpyridine
CID 118994306
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
5-chloro-3-phenyl-1-(2,4,5-trifluorophenyl)pyrazole
CID 66015724
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
CID 6006165
1-(4-chlorophenyl)-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 132581655
5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1045445
[2-[[(3R,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-(2-benzoylcyclopropyl)phenyl]-6-fluoropyrrolo[3,2-b]pyridin-1-yl] thiohypofluorite
CID 145024270

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite?
The IUPAC name of (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite (CID 176678737) is (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite.
What is the SMILES notation for (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite?
The canonical SMILES for (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite is FSn1c(Cl)nc2nc(-c3ccccc3)c(F)cc21.
What is the InChIKey of (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite?
The InChIKey is GHKGPMKMMBMCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3S/c13-12-17-11-9(18(12)19-15)6-8(14)10(16-11)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite?
(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite has a molecular weight of 297.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite is sourced from PubChem (CID 176678737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).