potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide

C61H72I2KN6O11- — CID 162208842

IUPACpotassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide
SMILESC=CCOC(=O)c1ccc(C)nc1.C=CCOC(=O)c1ccc(C=C)nc1.C=CCOC(=O)c1ccc(CC)nc1.C=CCOC(=O)c1ccc(CI)nc1.CC(C)(C)[O-].CCc1ccc(C)nc1.Cc1ccc(C(=O)O)cn1.[I-].[K+]
InChIInChI=1S/C11H13NO2.C11H11NO2.C10H10INO2.C10H11NO2.C8H11N.C7H7NO2.C4H9O.HI.K/c2*1-3-7-14-11(13)9-5-6-10(4-2)12-8-9;1-2-5-14-10(13)8-3-4-9(6-11)12-7-8;1-3-6-13-10(12)9-5-4-8(2)11-7-9;1-3-8-5-4-7(2)9-6-8;1-5-2-3-6(4-8-5)7(9)10;1-4(2,3)5;;/h3,5-6,8H,1,4,7H2,2H3;3-6,8H,1-2,7H2;2-4,7H,1,5-6H2;3-5,7H,1,6H2,2H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,9,10);1-3H3;1H;/q;;;;;;-1;;+1/p-1
InChIKeyPMVFADCGRDHFEI-UHFFFAOYSA-M
MW1358.18 g/mol
LogP5.34
Rot. Bonds17

About potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide

potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide (PubChem CID 162208842) has the molecular formula C61H72I2KN6O11- and a molecular weight of 1358.18 g/mol. Its IUPAC name is potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide.

Molecular Properties

Compound Namepotassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide
PubChem CID162208842
Molecular FormulaC61H72I2KN6O11-
Molecular Weight1358.18 g/mol
Exact Mass1357.30
IUPAC Namepotassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide
SMILESC=CCOC(=O)c1ccc(C)nc1.C=CCOC(=O)c1ccc(C=C)nc1.C=CCOC(=O)c1ccc(CC)nc1.C=CCOC(=O)c1ccc(CI)nc1.CC(C)(C)[O-].CCc1ccc(C)nc1.Cc1ccc(C(=O)O)cn1.[I-].[K+]
InChIInChI=1S/C11H13NO2.C11H11NO2.C10H10INO2.C10H11NO2.C8H11N.C7H7NO2.C4H9O.HI.K/c2*1-3-7-14-11(13)9-5-6-10(4-2)12-8-9;1-2-5-14-10(13)8-3-4-9(6-11)12-7-8;1-3-6-13-10(12)9-5-4-8(2)11-7-9;1-3-8-5-4-7(2)9-6-8;1-5-2-3-6(4-8-5)7(9)10;1-4(2,3)5;;/h3,5-6,8H,1,4,7H2,2H3;3-6,8H,1-2,7H2;2-4,7H,1,5-6H2;3-5,7H,1,6H2,2H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,9,10);1-3H3;1H;/q;;;;;;-1;;+1/p-1
InChIKeyPMVFADCGRDHFEI-UHFFFAOYSA-M
XLogP5.34
TPSA242.90 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001358.18
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide with MolForge

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Related Compounds

Nicomol
CID 34081
Isopropyl 2-(3-isopropoxycarbonyl-2-pyridyl)pyridine-3-carboxylate; ruthenium
CID 49771542
ethyl 6-[(3R,5S)-3,5-bis(3-ethoxycarbonyl-4-pyridinyl)cyclohexyl]pyridine-3-carboxylate
CID 17759360
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
Ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87801988
Methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87802068
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159227653
ethyl 5-[5-fluoro-4-[3-[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylate;5-[5-fluoro-4-[3-[(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxopropyl]-2-pyridinyl]-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 160586463
Dipotassium;sodium;ethyl formate;2-fluoro-4-iodopyridine;2-fluoro-4-iodopyridine-3-carbaldehyde;2-fluoro-4-iodopyridine-3-carboxylic acid;2-fluoropyridine;hydride;methane;methyl 2-fluoro-4-iodopyridine-3-carboxylate;methyl 4-iodo-2-(2-phenylethyl)pyridine-3-carboxylate;methylperoxymethane;oxido formate;2,2,2-trifluoroacetaldehyde;chlorite
CID 161490730
Ethyl pyridine-3-carboxylate;6-[[2-oxo-9-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]pyridine-3-carboxylic acid
CID 161868551
[3-(Pyridine-3-carbonyloxy)-2-[[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propoxy]methyl]-2-(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
CID 101248686
Ruthenium(II)-tris(2,2'-bipyridyl-4,4'-dicarboxylate)
CID 129713188

Frequently Asked Questions

What is the IUPAC name of potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide?
The IUPAC name of potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide (CID 162208842) is potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide.
What is the SMILES notation for potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide?
The canonical SMILES for potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide is C=CCOC(=O)c1ccc(C)nc1.C=CCOC(=O)c1ccc(C=C)nc1.C=CCOC(=O)c1ccc(CC)nc1.C=CCOC(=O)c1ccc(CI)nc1.CC(C)(C)[O-].CCc1ccc(C)nc1.Cc1ccc(C(=O)O)cn1.[I-].[K+].
What is the InChIKey of potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide?
The InChIKey is PMVFADCGRDHFEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NO2.C11H11NO2.C10H10INO2.C10H11NO2.C8H11N.C7H7NO2.C4H9O.HI.K/c2*1-3-7-14-11(13)9-5-6-10(4-2)12-8-9;1-2-5-14-10(13)8-3-4-9(6-11)12-7-8;1-3-6-13-10(12)9-5-4-8(2)11-7-9;1-3-8-5-4-7(2)9-6-8;1-5-2-3-6(4-8-5)7(9)10;1-4(2,3)5;;/h3,5-6,8H,1,4,7H2,2H3;3-6,8H,1-2,7H2;2-4,7H,1,5-6H2;3-5,7H,1,6H2,2H3;4-6H,3H2,1-2H3;2-4H,1H3,(H,9,10);1-3H3;1H;/q;;;;;;-1;;+1/p-1.
What are the key properties of potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide?
potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide has a molecular weight of 1358.18 g/mol, XLogP of 5.34, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-ethyl-2-methylpyridine;2-methylpropan-2-olate;6-methylpyridine-3-carboxylic acid;prop-2-enyl 6-ethenylpyridine-3-carboxylate;prop-2-enyl 6-ethylpyridine-3-carboxylate;prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate;prop-2-enyl 6-methylpyridine-3-carboxylate;iodide is sourced from PubChem (CID 162208842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).