[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

C14H10ClF2N3O2S — CID 163251086

IUPAC[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1ncc(F)c(OC)c1-c1cn(SF)c2nc(Cl)ccc12
InChIInChI=1S/C14H10ClF2N3O2S/c1-21-12-9(16)5-18-14(22-2)11(12)8-6-20(23-17)13-7(8)3-4-10(15)19-13/h3-6H,1-2H3
InChIKeyZILUCBNHVVUXRN-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.29
Rot. Bonds4

About [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite

[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251086) has the molecular formula C14H10ClF2N3O2S and a molecular weight of 357.77 g/mol. Its IUPAC name is [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
PubChem CID163251086
Molecular FormulaC14H10ClF2N3O2S
Molecular Weight357.77 g/mol
Exact Mass357.02
IUPAC Name[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1ncc(F)c(OC)c1-c1cn(SF)c2nc(Cl)ccc12
InChIInChI=1S/C14H10ClF2N3O2S/c1-21-12-9(16)5-18-14(22-2)11(12)8-6-20(23-17)13-7(8)3-4-10(15)19-13/h3-6H,1-2H3
InChIKeyZILUCBNHVVUXRN-UHFFFAOYSA-N
XLogP4.29
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-3-(5,7-dimethoxy-[1,3]thiazolo[4,5-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251877
[6-chloro-3-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251710
[6-amino-3-(4,6-dimethoxypyrimidin-5-yl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163250878
[6-chloro-3-[2-methoxy-6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251580
2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251302
2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
[6-chloro-3-(2-cyclopropyloxy-6-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251012
[6-(benzhydrylideneamino)-3-(2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251900
[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite
CID 163251171
6-chloro-3-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine
CID 170855643
5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252235
ethane;5-fluoro-2,4-dimethoxy-3-methylpyridine
CID 163252234

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite (CID 163251086) is [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is COc1ncc(F)c(OC)c1-c1cn(SF)c2nc(Cl)ccc12.
What is the InChIKey of [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is ZILUCBNHVVUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O2S/c1-21-12-9(16)5-18-14(22-2)11(12)8-6-20(23-17)13-7(8)3-4-10(15)19-13/h3-6H,1-2H3.
What are the key properties of [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite?
[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 357.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).