[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite

C13H10ClFN4OS — CID 163251171

IUPAC[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1nccc(C)c1-c1nn(SF)c2nc(Cl)ccc12
InChIInChI=1S/C13H10ClFN4OS/c1-7-5-6-16-13(20-2)10(7)11-8-3-4-9(14)17-12(8)19(18-11)21-15/h3-6H,1-2H3
InChIKeyXTRCLUGGAFCAJZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.84
Rot. Bonds3

About [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite

[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite (PubChem CID 163251171) has the molecular formula C13H10ClFN4OS and a molecular weight of 324.77 g/mol. Its IUPAC name is [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite
PubChem CID163251171
Molecular FormulaC13H10ClFN4OS
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC Name[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite
SMILESCOc1nccc(C)c1-c1nn(SF)c2nc(Cl)ccc12
InChIInChI=1S/C13H10ClFN4OS/c1-7-5-6-16-13(20-2)10(7)11-8-3-4-9(14)17-12(8)19(18-11)21-15/h3-6H,1-2H3
InChIKeyXTRCLUGGAFCAJZ-UHFFFAOYSA-N
XLogP3.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite?
The IUPAC name of [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite (CID 163251171) is [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite.
What is the SMILES notation for [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite?
The canonical SMILES for [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite is COc1nccc(C)c1-c1nn(SF)c2nc(Cl)ccc12.
What is the InChIKey of [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite?
The InChIKey is XTRCLUGGAFCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4OS/c1-7-5-6-16-13(20-2)10(7)11-8-3-4-9(14)17-12(8)19(18-11)21-15/h3-6H,1-2H3.
What are the key properties of [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite?
[6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite has a molecular weight of 324.77 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(2-methoxy-4-methyl-3-pyridinyl)pyrazolo[5,4-b]pyridin-1-yl] thiohypofluorite is sourced from PubChem (CID 163251171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).