3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten

C7H4BrN2W3- — CID 158327317

IUPAC3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
SMILES[3H]c1c[c-]c2c(Br)c[nH]c2n1.[W].[W].[W]
InChIInChI=1S/C7H4BrN2.3W/c8-6-4-10-7-5(6)2-1-3-9-7;;;/h1,3-4H,(H,9,10);;;/q-1;;;/i3T;;;
InChIKeyMLPGODWPHWGZIQ-NDEWRLJRSA-N
MW749.56 g/mol
LogP2.12
Rot. Bonds

About 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten

3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten (PubChem CID 158327317) has the molecular formula C7H4BrN2W3- and a molecular weight of 749.56 g/mol. Its IUPAC name is 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten.

Molecular Properties

Compound Name3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
PubChem CID158327317
Molecular FormulaC7H4BrN2W3-
Molecular Weight749.56 g/mol
Exact Mass748.82
IUPAC Name3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
SMILES[3H]c1c[c-]c2c(Br)c[nH]c2n1.[W].[W].[W]
InChIInChI=1S/C7H4BrN2.3W/c8-6-4-10-7-5(6)2-1-3-9-7;;;/h1,3-4H,(H,9,10);;;/q-1;;;/i3T;;;
InChIKeyMLPGODWPHWGZIQ-NDEWRLJRSA-N
XLogP2.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500749.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4-Dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten
CID 58431408
3-bromo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70328713
4,7-Dihydropyrrolo[2,3-d]pyrimidin-4-ide;tungsten
CID 140806118
6-Bromo-1,5-dihydropyrrolo[2,3-b]azepine
CID 143020055
(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 167219322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten?
The IUPAC name of 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten (CID 158327317) is 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten.
What is the SMILES notation for 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten?
The canonical SMILES for 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten is [3H]c1c[c-]c2c(Br)c[nH]c2n1.[W].[W].[W].
What is the InChIKey of 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten?
The InChIKey is MLPGODWPHWGZIQ-NDEWRLJRSA-N. The full InChI is InChI=1S/C7H4BrN2.3W/c8-6-4-10-7-5(6)2-1-3-9-7;;;/h1,3-4H,(H,9,10);;;/q-1;;;/i3T;;;.
What are the key properties of 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten?
3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten has a molecular weight of 749.56 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-tritio-1,4-dihydropyrrolo[2,3-b]pyridin-4-ide;tungsten is sourced from PubChem (CID 158327317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).