potassium N-(3H-pyridin-3-id-4-yl)methanimine

C6H4KN2- — CID 59811192

IUPACpotassium N-(3H-pyridin-3-id-4-yl)methanimine
SMILES[H]/[C-]=N/c1[c-]cncc1.[K+]
InChIInChI=1S/C6H4N2.K/c1-7-6-2-4-8-5-3-6;/h1-2,4-5H;/q-2;+1
InChIKeyZYXJLPLEKRYWED-UHFFFAOYSA-N
MW143.21 g/mol
LogP-1.91
Rot. Bonds1

About potassium N-(3H-pyridin-3-id-4-yl)methanimine

potassium N-(3H-pyridin-3-id-4-yl)methanimine (PubChem CID 59811192) has the molecular formula C6H4KN2- and a molecular weight of 143.21 g/mol. Its IUPAC name is potassium N-(3H-pyridin-3-id-4-yl)methanimine.

Molecular Properties

Compound Namepotassium N-(3H-pyridin-3-id-4-yl)methanimine
PubChem CID59811192
Molecular FormulaC6H4KN2-
Molecular Weight143.21 g/mol
Exact Mass143.00
IUPAC Namepotassium N-(3H-pyridin-3-id-4-yl)methanimine
SMILES[H]/[C-]=N/c1[c-]cncc1.[K+]
InChIInChI=1S/C6H4N2.K/c1-7-6-2-4-8-5-3-6;/h1-2,4-5H;/q-2;+1
InChIKeyZYXJLPLEKRYWED-UHFFFAOYSA-N
XLogP-1.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-(3H-pyridin-3-id-4-yl)methanimine?
The IUPAC name of potassium N-(3H-pyridin-3-id-4-yl)methanimine (CID 59811192) is potassium N-(3H-pyridin-3-id-4-yl)methanimine.
What is the SMILES notation for potassium N-(3H-pyridin-3-id-4-yl)methanimine?
The canonical SMILES for potassium N-(3H-pyridin-3-id-4-yl)methanimine is [H]/[C-]=N/c1[c-]cncc1.[K+].
What is the InChIKey of potassium N-(3H-pyridin-3-id-4-yl)methanimine?
The InChIKey is ZYXJLPLEKRYWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.K/c1-7-6-2-4-8-5-3-6;/h1-2,4-5H;/q-2;+1.
What are the key properties of potassium N-(3H-pyridin-3-id-4-yl)methanimine?
potassium N-(3H-pyridin-3-id-4-yl)methanimine has a molecular weight of 143.21 g/mol, XLogP of -1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3H-pyridin-3-id-4-yl)methanimine is sourced from PubChem (CID 59811192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).