potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride

C59H54Cl10KN10O13S- — CID 159799475

IUPACpotassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride
SMILESCC(=O)CC(=O)c1ccc(Cl)nc1.CC(=O)c1ccc(Cl)nc1.CCOC(=O)C[C-]=O.Cl.Clc1ccc(-c2ccccn2)cn1.Cn1ccc[n+](C)c1=O.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.O=c1ccc(-c2ccccn2)c[nH]1.[Cl-].[K+].[OH-]
InChIInChI=1S/C10H7ClN2.C10H8N2O.C9H8ClNO2.C7H6ClNO.C6H3Cl2NO.C6H4ClNO2.C6H9N2O.C5H7O3.Cl2OS.2ClH.K.H2O/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;13-10-5-4-8(7-12-10)9-3-1-2-6-11-9;1-6(12)4-8(13)7-2-3-9(10)11-5-7;1-5(10)6-2-3-7(8)9-4-6;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-7-4-3-5-8(2)6(7)9;1-2-8-5(7)3-4-6;1-4(2)3;;;;/h1-7H;1-7H,(H,12,13);2-3,5H,4H2,1H3;2-4H,1H3;1-3H;1-3H,(H,9,10);3-5H,1-2H3;2-3H2,1H3;;2*1H;;1H2/q;;;;;;+1;-1;;;;+1;/p-2
InChIKeyULCWVQUPONEKBV-UHFFFAOYSA-L
MW1536.83 g/mol
LogP6.17
Rot. Bonds11

About potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride

potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride (PubChem CID 159799475) has the molecular formula C59H54Cl10KN10O13S- and a molecular weight of 1536.83 g/mol. Its IUPAC name is potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride.

Molecular Properties

Compound Namepotassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride
PubChem CID159799475
Molecular FormulaC59H54Cl10KN10O13S-
Molecular Weight1536.83 g/mol
Exact Mass1531.01
IUPAC Namepotassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride
SMILESCC(=O)CC(=O)c1ccc(Cl)nc1.CC(=O)c1ccc(Cl)nc1.CCOC(=O)C[C-]=O.Cl.Clc1ccc(-c2ccccn2)cn1.Cn1ccc[n+](C)c1=O.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.O=c1ccc(-c2ccccn2)c[nH]1.[Cl-].[K+].[OH-]
InChIInChI=1S/C10H7ClN2.C10H8N2O.C9H8ClNO2.C7H6ClNO.C6H3Cl2NO.C6H4ClNO2.C6H9N2O.C5H7O3.Cl2OS.2ClH.K.H2O/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;13-10-5-4-8(7-12-10)9-3-1-2-6-11-9;1-6(12)4-8(13)7-2-3-9(10)11-5-7;1-5(10)6-2-3-7(8)9-4-6;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-7-4-3-5-8(2)6(7)9;1-2-8-5(7)3-4-6;1-4(2)3;;;;/h1-7H;1-7H,(H,12,13);2-3,5H,4H2,1H3;2-4H,1H3;1-3H;1-3H,(H,9,10);3-5H,1-2H3;2-3H2,1H3;;2*1H;;1H2/q;;;;;;+1;-1;;;;+1;/p-2
InChIKeyULCWVQUPONEKBV-UHFFFAOYSA-L
XLogP6.17
TPSA344.99 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.83
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride with MolForge

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Related Compounds

aniline;2-chloro-N-methyl-N-phenylpyridine-3-carboxamide;2-chloro-N-phenylpyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride;2-chloropyridine-3-carboxylic acid;ethane;6-methylbenzo[h][1,6]naphthyridin-5-one;1-methyl-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;6-methyl-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
CID 158032906
1-(6-Amino-3-pyridinyl)ethanone;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)ethanone;dimethyl 2-(6-chloropyridine-3-carbonyl)propanedioate
CID 158477191
3-[[3-Aminopropoxy(dimethyl)silyl]oxy-dimethylsilyl]oxypropan-1-amine;6-(5-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride;6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;5-[methoxy(dimethyl)silyl]oxy-1-[6-(5-pentanoyl-2-pyridinyl)-3-pyridinyl]pentan-1-one;thionyl dichloride
CID 158530759
N-(2-aminoethyl)pyridine-3-carboxamide;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate;hydron;[(4E,6Z,8S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[2-(pyridine-3-carbonylamino)ethylamino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;thionyl dichloride;hydrochloride
CID 158784108
(8Z,11Z,14Z,17Z,20Z)-1-aminotricosa-8,11,14,17,20-pentaen-4-one;dichloromethane;methyl 6-methylpyridine-3-carboxylate;methyl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate;6-(2-morpholin-4-ylethyl)-N-[(8Z,11Z,14Z,17Z,20Z)-4-oxotricosa-8,11,14,17,20-pentaenyl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethyl)pyridine-3-carboxylic acid;oxane;hydrochloride
CID 158915697
dipotassium;2-chloro-1H-1,6-naphthyridin-4-one;2-chloro-N-(3-piperidin-1-ylpropyl)-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;diethyl propanedioate;ethyl 4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate;hydride;4-hydroxy-1H-1,6-naphthyridin-2-one;methyl 4-aminopyridine-3-carboxylate;oxido formate;phosphoryl trichloride;3-piperidin-1-ylpropan-1-amine
CID 159233970
lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane
CID 161392196
4-[[2-(5-Chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylic acid;[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone;piperidin-4-ol
CID 161798049

Frequently Asked Questions

What is the IUPAC name of potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride?
The IUPAC name of potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride (CID 159799475) is potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride.
What is the SMILES notation for potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride?
The canonical SMILES for potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride is CC(=O)CC(=O)c1ccc(Cl)nc1.CC(=O)c1ccc(Cl)nc1.CCOC(=O)C[C-]=O.Cl.Clc1ccc(-c2ccccn2)cn1.Cn1ccc[n+](C)c1=O.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.O=c1ccc(-c2ccccn2)c[nH]1.[Cl-].[K+].[OH-].
What is the InChIKey of potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride?
The InChIKey is ULCWVQUPONEKBV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7ClN2.C10H8N2O.C9H8ClNO2.C7H6ClNO.C6H3Cl2NO.C6H4ClNO2.C6H9N2O.C5H7O3.Cl2OS.2ClH.K.H2O/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;13-10-5-4-8(7-12-10)9-3-1-2-6-11-9;1-6(12)4-8(13)7-2-3-9(10)11-5-7;1-5(10)6-2-3-7(8)9-4-6;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-7-4-3-5-8(2)6(7)9;1-2-8-5(7)3-4-6;1-4(2)3;;;;/h1-7H;1-7H,(H,12,13);2-3,5H,4H2,1H3;2-4H,1H3;1-3H;1-3H,(H,9,10);3-5H,1-2H3;2-3H2,1H3;;2*1H;;1H2/q;;;;;;+1;-1;;;;+1;/p-2.
What are the key properties of potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride?
potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride has a molecular weight of 1536.83 g/mol, XLogP of 6.17, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;1-(6-chloro-3-pyridinyl)butane-1,3-dione;1-(6-chloro-3-pyridinyl)ethanone;2-chloro-5-pyridin-2-ylpyridine;1,3-dimethylpyrimidin-1-ium-2-one;ethyl 3-oxopropanoate;5-pyridin-2-yl-1H-pyridin-2-one;thionyl dichloride;chloride;hydroxide;hydrochloride is sourced from PubChem (CID 159799475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).