potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide

C7H5BF3KN2 — CID 71763569

IUPACpotassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
SMILESF[B-](F)(F)c1cnc2[nH]ccc2c1.[K+]
InChIInChI=1S/C7H5BF3N2.K/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;/h1-4H,(H,12,13);/q-1;+1
InChIKeyCYMDOIGEZLHUMR-UHFFFAOYSA-N
MW224.04 g/mol
LogP-1.38
Rot. Bonds1

About potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide

potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide (PubChem CID 71763569) has the molecular formula C7H5BF3KN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
PubChem CID71763569
Molecular FormulaC7H5BF3KN2
Molecular Weight224.04 g/mol
Exact Mass224.01
IUPAC Namepotassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
SMILESF[B-](F)(F)c1cnc2[nH]ccc2c1.[K+]
InChIInChI=1S/C7H5BF3N2.K/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;/h1-4H,(H,12,13);/q-1;+1
InChIKeyCYMDOIGEZLHUMR-UHFFFAOYSA-N
XLogP-1.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The IUPAC name of potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide (CID 71763569) is potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide.
What is the SMILES notation for potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The canonical SMILES for potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide is F[B-](F)(F)c1cnc2[nH]ccc2c1.[K+].
What is the InChIKey of potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The InChIKey is CYMDOIGEZLHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF3N2.K/c9-8(10,11)6-3-5-1-2-12-7(5)13-4-6;/h1-4H,(H,12,13);/q-1;+1.
What are the key properties of potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide has a molecular weight of 224.04 g/mol, XLogP of -1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide is sourced from PubChem (CID 71763569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).