tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid

C139H197F4N15O16 — CID 160925739

IUPACtris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESC.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccccn1.COc1ccc(C(C)C)nc1C.COc1nc(C(C)C)ccc1C.Cc1cc(C(=O)O)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1N.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)cc1C.Cc1cnc(C(C)C)cc1C(=O)O.Cc1nc(C(C)C)ccc1F.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C10H10F3NO2.2C10H13NO2.2C10H15NO.3C10H15N.C9H12FN.C9H14N2.C9H11NO2.2C9H13N.C8H11N.3CO2.3CH4/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-6(2)9-4-8(10(12)13)7(3)5-11-9;1-6(2)8-4-7(3)5-9(11-8)10(12)13;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)9-6-5-8(3)10(11-9)12-4;1-7(2)10-5-8(3)9(4)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)8-5-4-7(3)9(10)11-8;1-6(2)8-5-7(9(11)12)3-4-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9-8;3*2-1-3;;;/h3-5H,1-2H3,(H,15,16);2*4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H,11,12);2*4-7H,1-3H3;3-7H,1-2H3;;;;3*1H4
InChIKeySSPPHEPVGCVEIZ-UHFFFAOYSA-N
MW2410.19 g/mol
LogP34.90
Rot. Bonds20

About tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid

tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 160925739) has the molecular formula C139H197F4N15O16 and a molecular weight of 2410.19 g/mol. Its IUPAC name is tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nametris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID160925739
Molecular FormulaC139H197F4N15O16
Molecular Weight2410.19 g/mol
Exact Mass2408.50
IUPAC Nametris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESC.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccccn1.COc1ccc(C(C)C)nc1C.COc1nc(C(C)C)ccc1C.Cc1cc(C(=O)O)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1N.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)cc1C.Cc1cnc(C(C)C)cc1C(=O)O.Cc1nc(C(C)C)ccc1F.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C10H10F3NO2.2C10H13NO2.2C10H15NO.3C10H15N.C9H12FN.C9H14N2.C9H11NO2.2C9H13N.C8H11N.3CO2.3CH4/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-6(2)9-4-8(10(12)13)7(3)5-11-9;1-6(2)8-4-7(3)5-9(11-8)10(12)13;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)9-6-5-8(3)10(11-9)12-4;1-7(2)10-5-8(3)9(4)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)8-5-4-7(3)9(10)11-8;1-6(2)8-5-7(9(11)12)3-4-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9-8;3*2-1-3;;;/h3-5H,1-2H3,(H,15,16);2*4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H,11,12);2*4-7H,1-3H3;3-7H,1-2H3;;;;3*1H4
InChIKeySSPPHEPVGCVEIZ-UHFFFAOYSA-N
XLogP34.90
TPSA476.56 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.19
LogP ≤ 534.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid 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

Methyl 2-[2-[2-(6-acetamido-3-pyridinyl)-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 123161154
Methyl 2-[4-[2-[2-[6-acetamido-2-[2-(2-methoxy-3-pyridin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-pyridinyl]-6-methoxy-3-pyridinyl]-5-methoxy-3-pyridinyl]-2-methoxy-3-pyridinyl]-4-(5-fluoro-2-pyridin-3-yl-3-pyridinyl)-5-(6-methoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 123986562
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-butoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(2S)-2,3-dimethylbutoxy]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(1-hydroxy-3-methylbutan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-pentyl-3-(trifluoromethyl)-2-pyridinyl]methanone;methane
CID 157330010
tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-6-methyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine-4-carboxylic acid;3-methoxy-2-methyl-6-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine-3-carboxylic acid;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;4-methyl-6-propan-2-ylpyridine-3-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;2-propan-2-yl-6-(4H-triazol-5-yl)pyridine;2-propan-2-yl-4-(trifluoromethyl)benzoic acid
CID 157541887
2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-methoxy-4-methylpyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-3-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 157701265
2-Methoxy-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylate;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
CID 157798340
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methylimino-5-phenylpent-2-en-2-amine;(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 158073996
2-chloro-5-propan-2-ylpyrazine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;5-propan-2-ylpyrazin-2-amine;4-propan-2-ylpyridin-2-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridin-3-ol;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158125227
3-(3-Fluoro-2-pyridinyl)propanal;3-(6-fluoro-2-pyridinyl)propanal;3-(5-hydroxy-2-pyridinyl)propanal;3-[3-(6-methoxy-3-pyridinyl)phenyl]propanal;3-[3-(6-methyl-3-pyridinyl)phenyl]propanal;5-[3-(3-oxopropyl)phenyl]pyridine-2-carboxylic acid;3-pyridin-2-ylpropanal;3-pyridin-3-ylpropanal;3-pyridin-4-ylpropanal;3-[3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propanal
CID 158230669
2-Methyl-6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine;methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate;2-methyl-4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine;methyl 4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxylate;6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxamide;6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylic acid;4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide;4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxylic acid
CID 158506326
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 158685563
2-tert-butyl-6-(difluoromethoxy)pyridine;6-tert-butyl-N,N-dimethylpyridin-2-amine;6-tert-butyl-N,N-dimethylpyridine-2-carboxamide;6-tert-butyl-N-ethylpyridine-2-carboxamide;2-tert-butyl-6-isocyanopyridine;2-tert-butyl-6-(2-methoxyethoxy)pyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-4-methoxypyridine;6-tert-butyl-N-methylpyridin-2-amine;2-tert-butyl-4-methylpyridine;6-tert-butyl-N-methylpyridine-2-carboxamide;(6-tert-butyl-3-pyridinyl)methanol;2-[(6-tert-butyl-2-pyridinyl)oxy]ethanol;1-[(6-tert-butyl-2-pyridinyl)oxy]-2-methylpropan-2-ol;3-[(6-tert-butyl-2-pyridinyl)oxy]-1,1,1-trifluoro-2-methylpropan-2-ol;2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 158699624

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 160925739) is tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid is C.C.C.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccccn1.COc1ccc(C(C)C)nc1C.COc1nc(C(C)C)ccc1C.Cc1cc(C(=O)O)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1N.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)cc1C.Cc1cnc(C(C)C)cc1C(=O)O.Cc1nc(C(C)C)ccc1F.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is SSPPHEPVGCVEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.2C10H13NO2.2C10H15NO.3C10H15N.C9H12FN.C9H14N2.C9H11NO2.2C9H13N.C8H11N.3CO2.3CH4/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-6(2)9-4-8(10(12)13)7(3)5-11-9;1-6(2)8-4-7(3)5-9(11-8)10(12)13;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)9-6-5-8(3)10(11-9)12-4;1-7(2)10-5-8(3)9(4)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)8-5-4-7(3)9(10)11-8;1-6(2)8-5-7(9(11)12)3-4-10-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9-8;3*2-1-3;;;/h3-5H,1-2H3,(H,15,16);2*4-6H,1-3H3,(H,12,13);2*5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);3-6H,1-2H3,(H,11,12);2*4-7H,1-3H3;3-7H,1-2H3;;;;3*1H4.
What are the key properties of tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 2410.19 g/mol, XLogP of 34.90, 20 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);bis(2,3-dimethyl-6-propan-2-ylpyridine);4,5-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;methane;2-methoxy-3-methyl-6-propan-2-ylpyridine;3-methoxy-2-methyl-6-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridin-2-amine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-2-carboxylic acid;5-methyl-2-propan-2-ylpyridine-4-carboxylic acid;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 160925739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).