tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid

C88H86N10O40 — CID 158595484

IUPACtetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)ccn1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccnc(C(=O)O)c1.CCOC(=O)c1ccnc(C(=O)OCC)c1.COC(=O)c1cc(C(=O)O)ccn1.COC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1.COC(=O)c1ccnc(C(=O)O)c1.COC(=O)c1ccnc(C(=O)OC)c1.Cc1ccc(C(=O)O)nc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C11H13NO4.3C9H9NO4.2C8H7NO4.2C8H9NO2.2C7H7NO2.4CO2/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2;1-13-8(11)6-3-4-10-7(5-6)9(12)14-2;1-2-14-9(13)6-3-4-10-7(5-6)8(11)12;1-2-14-9(13)7-5-6(8(11)12)3-4-10-7;1-13-8(12)5-2-3-9-6(4-5)7(10)11;1-13-8(12)6-4-5(7(10)11)2-3-9-6;1-6-3-4-7(9-5-6)8(10)11-2;1-2-11-8(10)7-5-3-4-6-9-7;1-5-2-3-6(7(9)10)8-4-5;1-10-7(9)6-4-2-3-5-8-6;4*2-1-3/h5-7H,3-4H2,1-2H3;3-5H,1-2H3;2*3-5H,2H2,1H3,(H,11,12);2*2-4H,1H3,(H,10,11);3-5H,1-2H3;3-6H,2H2,1H3;2-4H,1H3,(H,9,10);2-5H,1H3;;;;
InChIKeyHUYZCFZEGMJUSW-UHFFFAOYSA-N
MW1923.69 g/mol
LogP7.19
Rot. Bonds21

About tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid

tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid (PubChem CID 158595484) has the molecular formula C88H86N10O40 and a molecular weight of 1923.69 g/mol. Its IUPAC name is tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Nametetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid
PubChem CID158595484
Molecular FormulaC88H86N10O40
Molecular Weight1923.69 g/mol
Exact Mass1922.50
IUPAC Nametetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid
SMILESCCOC(=O)c1cc(C(=O)O)ccn1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccnc(C(=O)O)c1.CCOC(=O)c1ccnc(C(=O)OCC)c1.COC(=O)c1cc(C(=O)O)ccn1.COC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1.COC(=O)c1ccnc(C(=O)O)c1.COC(=O)c1ccnc(C(=O)OC)c1.Cc1ccc(C(=O)O)nc1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C11H13NO4.3C9H9NO4.2C8H7NO4.2C8H9NO2.2C7H7NO2.4CO2/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2;1-13-8(11)6-3-4-10-7(5-6)9(12)14-2;1-2-14-9(13)6-3-4-10-7(5-6)8(11)12;1-2-14-9(13)7-5-6(8(11)12)3-4-10-7;1-13-8(12)5-2-3-9-6(4-5)7(10)11;1-13-8(12)6-4-5(7(10)11)2-3-9-6;1-6-3-4-7(9-5-6)8(10)11-2;1-2-11-8(10)7-5-3-4-6-9-7;1-5-2-3-6(7(9)10)8-4-5;1-10-7(9)6-4-2-3-5-8-6;4*2-1-3/h5-7H,3-4H2,1-2H3;3-5H,1-2H3;2*3-5H,2H2,1H3,(H,11,12);2*2-4H,1H3,(H,10,11);3-5H,1-2H3;3-6H,2H2,1H3;2-4H,1H3,(H,9,10);2-5H,1H3;;;;
InChIKeyHUYZCFZEGMJUSW-UHFFFAOYSA-N
XLogP7.19
TPSA741.26 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001923.69
LogP ≤ 57.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid with MolForge

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Related Compounds

Vanadium picolinate
CID 129717522
4-(1,1-Difluoroethyl)pyridine-2-carboxylic acid;ethyl 4-acetylpyridine-2-carboxylate;ethyl 4-(1,1-difluoroethyl)pyridine-2-carboxylate
CID 157194381
tert-butyl pyridine-4-carboxylate;N,N-dimethylpyridine-4-carboxamide;tris(ethyl pyridine-4-carboxylate);1,1,1,3,3,3-hexafluoropropan-2-yl pyridine-4-carboxylate;methyl pyridine-2-carboxylate;methyl pyridine-3-carboxylate;methyl pyridine-4-carboxylate;propan-2-yl pyridine-4-carboxylate
CID 161654984
Chromium chromium picolinate
CID 129712025
Chromium picolinate chromium (IV)
CID 129712041
Calcium chromium picolinate iron
CID 129734825
Chromium picolinate lead
CID 129858701
Uranium picolinate
CID 134822610
Tetraaquabis(4,4'-bipyridine)iron(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309213
Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309279
Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309310
methyl 4-[(E)-2-[3,5,6-tris[(E)-2-(2-methoxycarbonyl-4-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 19937830

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid?
The IUPAC name of tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid (CID 158595484) is tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid?
The canonical SMILES for tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid is CCOC(=O)c1cc(C(=O)O)ccn1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccnc(C(=O)O)c1.CCOC(=O)c1ccnc(C(=O)OCC)c1.COC(=O)c1cc(C(=O)O)ccn1.COC(=O)c1ccc(C)cn1.COC(=O)c1ccccn1.COC(=O)c1ccnc(C(=O)O)c1.COC(=O)c1ccnc(C(=O)OC)c1.Cc1ccc(C(=O)O)nc1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid?
The InChIKey is HUYZCFZEGMJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4.3C9H9NO4.2C8H7NO4.2C8H9NO2.2C7H7NO2.4CO2/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2;1-13-8(11)6-3-4-10-7(5-6)9(12)14-2;1-2-14-9(13)6-3-4-10-7(5-6)8(11)12;1-2-14-9(13)7-5-6(8(11)12)3-4-10-7;1-13-8(12)5-2-3-9-6(4-5)7(10)11;1-13-8(12)6-4-5(7(10)11)2-3-9-6;1-6-3-4-7(9-5-6)8(10)11-2;1-2-11-8(10)7-5-3-4-6-9-7;1-5-2-3-6(7(9)10)8-4-5;1-10-7(9)6-4-2-3-5-8-6;4*2-1-3/h5-7H,3-4H2,1-2H3;3-5H,1-2H3;2*3-5H,2H2,1H3,(H,11,12);2*2-4H,1H3,(H,10,11);3-5H,1-2H3;3-6H,2H2,1H3;2-4H,1H3,(H,9,10);2-5H,1H3;;;;.
What are the key properties of tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid?
tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid has a molecular weight of 1923.69 g/mol, XLogP of 7.19, 21 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);diethyl pyridine-2,4-dicarboxylate;dimethyl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;ethyl pyridine-2-carboxylate;2-methoxycarbonylpyridine-4-carboxylic acid;4-methoxycarbonylpyridine-2-carboxylic acid;methyl 5-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 158595484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).