bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol

C74H56F24N8O17 — CID 165078628

IUPACbis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESC=C(C)C(O)c1cccc(C(F)(F)F)n1.C=C(C)C(OC(C)=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2cccc(C(F)(F)F)n2c1.COC(=O)c1cccc(C(F)(F)F)n1.O=C(O)c1cc2cccc(C(F)(F)F)n2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=C=O.O=C=O.O=Cc1cccc(C(F)(F)F)n1.OCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3NO2.C11H8F3NO2.C10H6F3NO2.C10H10F3NO.C8H6F3NO2.C7H4F3NO2.C7H6F3NO.C7H4F3NO.2CO2/c1-7(2)11(18-8(3)17)9-5-4-6-10(16-9)12(13,14)15;1-17-10(16)7-5-8-3-2-4-9(11(12,13)14)15(8)6-7;11-10(12,13)8-3-1-2-7-4-6(9(15)16)5-14(7)8;1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;8-7(9,10)5-3-1-2-4(11-5)6(12)13;2*8-7(9,10)6-3-1-2-5(4-12)11-6;2*2-1-3/h4-6,11H,1H2,2-3H3;2-6H,1H3;1-5H,(H,15,16);3-5,9,15H,1H2,2H3;2-4H,1H3;1-3H,(H,12,13);1-3,12H,4H2;1-4H;;
InChIKeyUSYYJIKSPQBGDW-UHFFFAOYSA-N
MW1785.25 g/mol
LogP17.42
Rot. Bonds11

About bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol

bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 165078628) has the molecular formula C74H56F24N8O17 and a molecular weight of 1785.25 g/mol. Its IUPAC name is bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Namebis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID165078628
Molecular FormulaC74H56F24N8O17
Molecular Weight1785.25 g/mol
Exact Mass1784.34
IUPAC Namebis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESC=C(C)C(O)c1cccc(C(F)(F)F)n1.C=C(C)C(OC(C)=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2cccc(C(F)(F)F)n2c1.COC(=O)c1cccc(C(F)(F)F)n1.O=C(O)c1cc2cccc(C(F)(F)F)n2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=C=O.O=C=O.O=Cc1cccc(C(F)(F)F)n1.OCc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H12F3NO2.C11H8F3NO2.C10H6F3NO2.C10H10F3NO.C8H6F3NO2.C7H4F3NO2.C7H6F3NO.C7H4F3NO.2CO2/c1-7(2)11(18-8(3)17)9-5-4-6-10(16-9)12(13,14)15;1-17-10(16)7-5-8-3-2-4-9(11(12,13)14)15(8)6-7;11-10(12,13)8-3-1-2-7-4-6(9(15)16)5-14(7)8;1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;8-7(9,10)5-3-1-2-4(11-5)6(12)13;2*8-7(9,10)6-3-1-2-5(4-12)11-6;2*2-1-3/h4-6,11H,1H2,2-3H3;2-6H,1H3;1-5H,(H,15,16);3-5,9,15H,1H2,2H3;2-4H,1H3;1-3H,(H,12,13);1-3,12H,4H2;1-4H;;
InChIKeyUSYYJIKSPQBGDW-UHFFFAOYSA-N
XLogP17.42
TPSA365.47 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.25
LogP ≤ 517.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol 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

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
Methyl 2-[hydroxy-(3-methyl-2-pyridinyl)methyl]prop-2-enoate;methyl 2-methylidene-3-(3-methyl-2-pyridinyl)butanoate;3-methylpyridine-2-carbaldehyde;methyl 8-(trifluoromethyl)indolizine-2-carboxylate;8-(trifluoromethyl)indolizine-2-carboxylic acid
CID 164994791
Methyl 2-[acetyloxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enoate;methyl 2-[hydroxy-[3-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enoate;methyl 8-(trifluoromethyl)indolizine-2-carboxylate;8-(trifluoromethyl)indolizine-2-carboxylic acid;3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 165076102
magnesium;furo[3,4-b]pyridine-5,7-dione;methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;methyl 3-(pyridine-2-carbonyl)pyridine-2-carboxylate;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);pyridine-2,3-dicarboxylic acid;2H-pyridin-2-ide;bromide
CID 161812110
Methyl 2-[hydroxy-(3-methyl-2-pyridinyl)methyl]prop-2-enoate;8-methylindolizine-2-carboxylic acid;methyl 8-methylindolizine-2-carboxylate;3-methylpyridine-2-carbaldehyde
CID 164948572
Methyl 2-[hydroxy-(6-methyl-2-pyridinyl)methyl]prop-2-enoate;5-methylindolizine-2-carboxylic acid;methyl 5-methylindolizine-2-carboxylate;6-methylpyridine-2-carbaldehyde
CID 164948712
8-Fluoroindolizine-2-carboxylic acid;3-fluoropyridine-2-carbaldehyde;methyl 8-fluoroindolizine-2-carboxylate;methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 164957771
Bis(carbon dioxide);5-chloroindolizine-2-carboxylic acid;6-chloropyridine-2-carbaldehyde;6-chloropyridine-2-carbonitrile;1-(6-chloro-2-pyridinyl)-2-methylprop-2-en-1-ol;[1-(6-chloro-2-pyridinyl)-2-methylprop-2-enyl] acetate;methyl 5-chloroindolizine-2-carboxylate
CID 164964638
6,8-Dichloroindolizine-2-carboxylic acid;3,5-dichloropyridine-2-carbaldehyde;methyl 6,8-dichloroindolizine-2-carboxylate;methyl 2-[(3,5-dichloro-2-pyridinyl)-hydroxymethyl]prop-2-enoate;methyl 3-(3,5-dichloro-2-pyridinyl)-2-methylidenebutanoate
CID 164980187
6-Fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 164985744
5-Chloroindolizine-2-carboxylic acid;6-chloropyridine-2-carbaldehyde;6-chloropyridine-2-carbonitrile;methyl 2-[acetyloxy-(6-chloro-2-pyridinyl)methyl]prop-2-enoate;methyl 5-chloroindolizine-2-carboxylate;methyl 2-[(6-chloro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
CID 164987253
8-Fluoroindolizine-2-carboxylic acid;3-fluoropyridine-2-carbaldehyde;methyl 8-fluoroindolizine-2-carboxylate;methyl 2-[(2-fluorophenyl)-hydroxymethyl]prop-2-enoate
CID 164998937

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol (CID 165078628) is bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol is C=C(C)C(O)c1cccc(C(F)(F)F)n1.C=C(C)C(OC(C)=O)c1cccc(C(F)(F)F)n1.COC(=O)c1cc2cccc(C(F)(F)F)n2c1.COC(=O)c1cccc(C(F)(F)F)n1.O=C(O)c1cc2cccc(C(F)(F)F)n2c1.O=C(O)c1cccc(C(F)(F)F)n1.O=C=O.O=C=O.O=Cc1cccc(C(F)(F)F)n1.OCc1cccc(C(F)(F)F)n1.
What is the InChIKey of bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is USYYJIKSPQBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2.C11H8F3NO2.C10H6F3NO2.C10H10F3NO.C8H6F3NO2.C7H4F3NO2.C7H6F3NO.C7H4F3NO.2CO2/c1-7(2)11(18-8(3)17)9-5-4-6-10(16-9)12(13,14)15;1-17-10(16)7-5-8-3-2-4-9(11(12,13)14)15(8)6-7;11-10(12,13)8-3-1-2-7-4-6(9(15)16)5-14(7)8;1-6(2)9(15)7-4-3-5-8(14-7)10(11,12)13;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;8-7(9,10)5-3-1-2-4(11-5)6(12)13;2*8-7(9,10)6-3-1-2-5(4-12)11-6;2*2-1-3/h4-6,11H,1H2,2-3H3;2-6H,1H3;1-5H,(H,15,16);3-5,9,15H,1H2,2H3;2-4H,1H3;1-3H,(H,12,13);1-3,12H,4H2;1-4H;;.
What are the key properties of bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol?
bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 1785.25 g/mol, XLogP of 17.42, 11 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);methyl 5-(trifluoromethyl)indolizine-2-carboxylate;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol;[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]prop-2-enyl] acetate;5-(trifluoromethyl)indolizine-2-carboxylic acid;6-(trifluoromethyl)pyridine-2-carbaldehyde;6-(trifluoromethyl)pyridine-2-carboxylic acid;[6-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 165078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).