octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid

C73H74N8O32 — CID 158237161

IUPACoctakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid
SMILESCCOC(=O)c1ccc(CC)cn1.CCOC(=O)c1cccc(CC)n1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccccn1.CCc1ccc(C(=O)O)nc1.COC(=O)c1cccc(C)n1.COC(=O)c1ccccn1.O=C(O)c1ccccn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C10H13NO2.4C8H9NO2.C7H7NO2.C6H5NO2.8CO2/c1-3-8-5-6-9(11-7-8)10(12)13-4-2;1-3-8-6-5-7-9(11-8)10(12)13-4-2;1-6-4-3-5-7(9-6)8(10)11-2;1-2-6-3-4-7(8(10)11)9-5-6;2*1-2-11-8(10)7-5-3-4-6-9-7;1-10-7(9)6-4-2-3-5-8-6;8-6(9)5-3-1-2-4-7-5;8*2-1-3/h2*5-7H,3-4H2,1-2H3;3-5H,1-2H3;3-5H,2H2,1H3,(H,10,11);2*3-6H,2H2,1H3;2-5H,1H3;1-4H,(H,8,9);;;;;;;;
InChIKeyGFCHVUXDCARQMY-UHFFFAOYSA-N
MW1575.42 g/mol
LogP5.66
Rot. Bonds15

About octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid

octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid (PubChem CID 158237161) has the molecular formula C73H74N8O32 and a molecular weight of 1575.42 g/mol. Its IUPAC name is octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameoctakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid
PubChem CID158237161
Molecular FormulaC73H74N8O32
Molecular Weight1575.42 g/mol
Exact Mass1574.44
IUPAC Nameoctakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid
SMILESCCOC(=O)c1ccc(CC)cn1.CCOC(=O)c1cccc(CC)n1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccccn1.CCc1ccc(C(=O)O)nc1.COC(=O)c1cccc(C)n1.COC(=O)c1ccccn1.O=C(O)c1ccccn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C10H13NO2.4C8H9NO2.C7H7NO2.C6H5NO2.8CO2/c1-3-8-5-6-9(11-7-8)10(12)13-4-2;1-3-8-6-5-7-9(11-8)10(12)13-4-2;1-6-4-3-5-7(9-6)8(10)11-2;1-2-6-3-4-7(8(10)11)9-5-6;2*1-2-11-8(10)7-5-3-4-6-9-7;1-10-7(9)6-4-2-3-5-8-6;8-6(9)5-3-1-2-4-7-5;8*2-1-3/h2*5-7H,3-4H2,1-2H3;3-5H,1-2H3;3-5H,2H2,1H3,(H,10,11);2*3-6H,2H2,1H3;2-5H,1H3;1-4H,(H,8,9);;;;;;;;
InChIKeyGFCHVUXDCARQMY-UHFFFAOYSA-N
XLogP5.66
TPSA608.64 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001575.42
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid with MolForge

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Related Compounds

[4-(Pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 2394574
Penicolinate A
CID 71521891
Penicolinate B
CID 71521892
Penicolinate C
CID 71521893
Vanadium picolinate
CID 129717522
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
Methyl 5-(trifluoromethyl)pyridine-2-carboxylate;5-(trifluoromethyl)pyridine-2-carboxylic acid;2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157788520
Tert-butyl 2-[4-[[6-(1-ethoxyethyl)-3-pyridinyl]methyl]phenyl]propanoate;2-[4-[(6-formyl-3-pyridinyl)methyl]phenyl]propanoic acid;methane;2,2,2-trifluoroacetic acid
CID 159230774
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
[5-Chloro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methanol;methyl 5-chloro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 160392583
2-Methoxy-5-(3-methylphenyl)pyridine;2-methyl-5-(3-methylphenyl)pyridine;methyl 5-(3-methylphenyl)pyridine-2-carboxylate;5-(3-methylphenyl)pyridine-2-carboxylic acid;5-(3-methylphenyl)-2-(trifluoromethyl)pyridine;2-methylpyridine;3-methylpyridine
CID 161506724
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

Frequently Asked Questions

What is the IUPAC name of octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid?
The IUPAC name of octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid (CID 158237161) is octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid.
What is the SMILES notation for octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid?
The canonical SMILES for octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid is CCOC(=O)c1ccc(CC)cn1.CCOC(=O)c1cccc(CC)n1.CCOC(=O)c1ccccn1.CCOC(=O)c1ccccn1.CCc1ccc(C(=O)O)nc1.COC(=O)c1cccc(C)n1.COC(=O)c1ccccn1.O=C(O)c1ccccn1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid?
The InChIKey is GFCHVUXDCARQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13NO2.4C8H9NO2.C7H7NO2.C6H5NO2.8CO2/c1-3-8-5-6-9(11-7-8)10(12)13-4-2;1-3-8-6-5-7-9(11-8)10(12)13-4-2;1-6-4-3-5-7(9-6)8(10)11-2;1-2-6-3-4-7(8(10)11)9-5-6;2*1-2-11-8(10)7-5-3-4-6-9-7;1-10-7(9)6-4-2-3-5-8-6;8-6(9)5-3-1-2-4-7-5;8*2-1-3/h2*5-7H,3-4H2,1-2H3;3-5H,1-2H3;3-5H,2H2,1H3,(H,10,11);2*3-6H,2H2,1H3;2-5H,1H3;1-4H,(H,8,9);;;;;;;;.
What are the key properties of octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid?
octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid has a molecular weight of 1575.42 g/mol, XLogP of 5.66, 15 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(carbon dioxide);ethyl 5-ethylpyridine-2-carboxylate;ethyl 6-ethylpyridine-2-carboxylate;bis(ethyl pyridine-2-carboxylate);5-ethylpyridine-2-carboxylic acid;methyl 6-methylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;pyridine-2-carboxylic acid is sourced from PubChem (CID 158237161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).