potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol

C13H15KN2O — CID 154657958

IUPACpotassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2c[c-]cc2)n1.[K+]
InChIInChI=1S/C13H15N2O.K/c1-13(2,16)12-7-5-6-11(14-12)10-15-8-3-4-9-15;/h3,5-9,16H,10H2,1-2H3;/q-1;+1
InChIKeyJDTGLQUEEGTTOG-UHFFFAOYSA-N
MW254.37 g/mol
LogP-1.04
Rot. Bonds3

About potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol

potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol (PubChem CID 154657958) has the molecular formula C13H15KN2O and a molecular weight of 254.37 g/mol. Its IUPAC name is potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Namepotassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol
PubChem CID154657958
Molecular FormulaC13H15KN2O
Molecular Weight254.37 g/mol
Exact Mass254.08
IUPAC Namepotassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Cn2c[c-]cc2)n1.[K+]
InChIInChI=1S/C13H15N2O.K/c1-13(2,16)12-7-5-6-11(14-12)10-15-8-3-4-9-15;/h3,5-9,16H,10H2,1-2H3;/q-1;+1
InChIKeyJDTGLQUEEGTTOG-UHFFFAOYSA-N
XLogP-1.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol (CID 154657958) is potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2c[c-]cc2)n1.[K+].
What is the InChIKey of potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is JDTGLQUEEGTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O.K/c1-13(2,16)12-7-5-6-11(14-12)10-15-8-3-4-9-15;/h3,5-9,16H,10H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol?
potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 254.37 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[6-(3H-pyrrol-3-id-1-ylmethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 154657958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).