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

C8H7BF3KN2O — CID 167735318

IUPACpotassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
SMILESCN1C(=O)Cc2cc([B-](F)(F)F)cnc21.[K+]
InChIInChI=1S/C8H7BF3N2O.K/c1-14-7(15)3-5-2-6(9(10,11)12)4-13-8(5)14;/h2,4H,3H2,1H3;/q-1;+1
InChIKeyMPTRYUIKOHIPNX-UHFFFAOYSA-N
MW254.06 g/mol
LogP-2.34
Rot. Bonds1

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

potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide (PubChem CID 167735318) has the molecular formula C8H7BF3KN2O and a molecular weight of 254.06 g/mol. Its IUPAC name is potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
PubChem CID167735318
Molecular FormulaC8H7BF3KN2O
Molecular Weight254.06 g/mol
Exact Mass254.02
IUPAC Namepotassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
SMILESCN1C(=O)Cc2cc([B-](F)(F)F)cnc21.[K+]
InChIInChI=1S/C8H7BF3N2O.K/c1-14-7(15)3-5-2-6(9(10,11)12)4-13-8(5)14;/h2,4H,3H2,1H3;/q-1;+1
InChIKeyMPTRYUIKOHIPNX-UHFFFAOYSA-N
XLogP-2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The IUPAC name of potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide (CID 167735318) is potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The canonical SMILES for potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide is CN1C(=O)Cc2cc([B-](F)(F)F)cnc21.[K+].
What is the InChIKey of potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
The InChIKey is MPTRYUIKOHIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BF3N2O.K/c1-14-7(15)3-5-2-6(9(10,11)12)4-13-8(5)14;/h2,4H,3H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide?
potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide has a molecular weight of 254.06 g/mol, XLogP of -2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-5-yl)boranuide is sourced from PubChem (CID 167735318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).