(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite

C7H2Br2F2N2S — CID 178060639

IUPAC(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
SMILESFSn1c(Br)cc2nc(Br)c(F)cc21
InChIInChI=1S/C7H2Br2F2N2S/c8-6-2-4-5(13(6)14-11)1-3(10)7(9)12-4/h1-2H
InChIKeyBNBHAHGDDPUZQD-UHFFFAOYSA-N
MW343.98 g/mol
LogP4.08
Rot. Bonds1

About (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite

(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite (PubChem CID 178060639) has the molecular formula C7H2Br2F2N2S and a molecular weight of 343.98 g/mol. Its IUPAC name is (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
PubChem CID178060639
Molecular FormulaC7H2Br2F2N2S
Molecular Weight343.98 g/mol
Exact Mass341.83
IUPAC Name(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
SMILESFSn1c(Br)cc2nc(Br)c(F)cc21
InChIInChI=1S/C7H2Br2F2N2S/c8-6-2-4-5(13(6)14-11)1-3(10)7(9)12-4/h1-2H
InChIKeyBNBHAHGDDPUZQD-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.98
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(3R,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-bromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl] thiohypofluorite
CID 145024182
2-bromo-3,5-difluoro-6-iodopyridine
CID 177159493
(2,5-dichloro-6-methylpyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite
CID 145024318
5-bromo-3-chloro-6-fluoro-1-methylpyrazolo[4,3-b]pyridine
CID 178139844
[2-[[(3R,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-chloro-6-fluoropyrrolo[3,2-b]pyridin-1-yl] thiohypofluorite
CID 145024399
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046
(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite
CID 176678737
2-[5-bromo-1-(2,2-difluoroethyl)-6-fluorobenzimidazol-2-yl]sulfanylacetic acid
CID 115407790
2,3-dibromo-6-fluoroquinoxaline
CID 71652953
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The IUPAC name of (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite (CID 178060639) is (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite.
What is the SMILES notation for (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The canonical SMILES for (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite is FSn1c(Br)cc2nc(Br)c(F)cc21.
What is the InChIKey of (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
The InChIKey is BNBHAHGDDPUZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F2N2S/c8-6-2-4-5(13(6)14-11)1-3(10)7(9)12-4/h1-2H.
What are the key properties of (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite?
(2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite has a molecular weight of 343.98 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-6-fluoropyrrolo[3,2-b]pyridin-1-yl) thiohypofluorite is sourced from PubChem (CID 178060639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).