potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide

C8H8F2KN — CID 177170164

IUPACpotassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide
SMILESCCc1[c-]cnc(C(F)F)c1.[K+]
InChIInChI=1S/C8H8F2N.K/c1-2-6-3-4-11-7(5-6)8(9)10;/h4-5,8H,2H2,1H3;/q-1;+1
InChIKeyFFXHBQNCAUALBZ-UHFFFAOYSA-N
MW195.25 g/mol
LogP-0.61
Rot. Bonds2

About potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide

potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide (PubChem CID 177170164) has the molecular formula C8H8F2KN and a molecular weight of 195.25 g/mol. Its IUPAC name is potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namepotassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide
PubChem CID177170164
Molecular FormulaC8H8F2KN
Molecular Weight195.25 g/mol
Exact Mass195.03
IUPAC Namepotassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide
SMILESCCc1[c-]cnc(C(F)F)c1.[K+]
InChIInChI=1S/C8H8F2N.K/c1-2-6-3-4-11-7(5-6)8(9)10;/h4-5,8H,2H2,1H3;/q-1;+1
InChIKeyFFXHBQNCAUALBZ-UHFFFAOYSA-N
XLogP-0.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-1-benzazepine
CID 70291399
2-methyl-5-(trifluoromethyl)-3H-pyridin-3-ide;uranium
CID 59045579
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692
(3Z)-N-methyl-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 141939133
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450

Frequently Asked Questions

What is the IUPAC name of potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide?
The IUPAC name of potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide (CID 177170164) is potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide.
What is the SMILES notation for potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide?
The canonical SMILES for potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide is CCc1[c-]cnc(C(F)F)c1.[K+].
What is the InChIKey of potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide?
The InChIKey is FFXHBQNCAUALBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N.K/c1-2-6-3-4-11-7(5-6)8(9)10;/h4-5,8H,2H2,1H3;/q-1;+1.
What are the key properties of potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide?
potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide has a molecular weight of 195.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(difluoromethyl)-4-ethyl-3H-pyridin-3-ide is sourced from PubChem (CID 177170164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).