methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate

C8H5BrFN3O2S — CID 146612396

IUPACmethyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c(Br)nn2SF
InChIInChI=1S/C8H5BrFN3O2S/c1-15-8(14)4-2-5-6(9)12-13(16-10)7(5)11-3-4/h2-3H,1H3
InChIKeySCIRWMWSWIGGNF-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.36
Rot. Bonds2

About methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate

methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 146612396) has the molecular formula C8H5BrFN3O2S and a molecular weight of 306.12 g/mol. Its IUPAC name is methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID146612396
Molecular FormulaC8H5BrFN3O2S
Molecular Weight306.12 g/mol
Exact Mass304.93
IUPAC Namemethyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)c(Br)nn2SF
InChIInChI=1S/C8H5BrFN3O2S/c1-15-8(14)4-2-5-6(9)12-13(16-10)7(5)11-3-4/h2-3H,1H3
InChIKeySCIRWMWSWIGGNF-UHFFFAOYSA-N
XLogP2.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(benzenesulfonyl)-5-methoxycarbonylpyrrolo[2,3-b]pyridin-3-yl]-trifluoroboranuide
CID 89405163
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
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methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 66679244
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 3-[[6-[(3-bromo-4-cyano-1-fluorosulfanylpyrazol-5-yl)amino]-3-pyridinyl]oxymethyl]benzoate
CID 168945975
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
methyl 5-bromo-6-[3-(pentafluoro-λ6-sulfanyl)phenoxy]pyridine-3-carboxylate
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methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
CID 117275214
methyl 5-methyl-6-methylsulfanylpyridine-3-carboxylate
CID 102544528

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate (CID 146612396) is methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c1)c(Br)nn2SF.
What is the InChIKey of methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is SCIRWMWSWIGGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O2S/c1-15-8(14)4-2-5-6(9)12-13(16-10)7(5)11-3-4/h2-3H,1H3.
What are the key properties of methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate?
methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 306.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1-fluorosulfanylpyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 146612396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).