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

C160H218F7N17O11 — CID 161094966

IUPACcarbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(F)cn1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccc(C(=O)O)cn1.COc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C)c(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1.Cc1nc(C(C)C)ccc1F.O=C=O
InChIInChI=1S/C10H10F3NO2.C10H15NO.4C10H15N.C9H10FNO2.3C9H12FN.2C9H11NO2.5C9H13N.CO2/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)10-9(4)5-8(3)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)10-8(3)5-6-9(4)11-10;1-5(2)8-3-6(9(12)13)7(10)4-11-8;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)9-8(10)5-4-7(3)11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;2*1-7(2)9-6-4-5-8(3)10-9;2-1-3/h3-5H,1-2H3,(H,15,16);5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);3*4-6H,1-3H3;2*3-6H,1-2H3,(H,11,12);5*4-7H,1-3H3;
InChIKeyUHRCDVBOGVBRPC-UHFFFAOYSA-N
MW2688.60 g/mol
LogP42.52
Rot. Bonds22

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

carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 161094966) has the molecular formula C160H218F7N17O11 and a molecular weight of 2688.60 g/mol. Its IUPAC name is carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID161094966
Molecular FormulaC160H218F7N17O11
Molecular Weight2688.60 g/mol
Exact Mass2686.69
IUPAC Namecarbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(F)cn1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccc(C(=O)O)cn1.COc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C)c(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1.Cc1nc(C(C)C)ccc1F.O=C=O
InChIInChI=1S/C10H10F3NO2.C10H15NO.4C10H15N.C9H10FNO2.3C9H12FN.2C9H11NO2.5C9H13N.CO2/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)10-9(4)5-8(3)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)10-8(3)5-6-9(4)11-10;1-5(2)8-3-6(9(12)13)7(10)4-11-8;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)9-8(10)5-4-7(3)11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;2*1-7(2)9-6-4-5-8(3)10-9;2-1-3/h3-5H,1-2H3,(H,15,16);5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);3*4-6H,1-3H3;2*3-6H,1-2H3,(H,11,12);5*4-7H,1-3H3;
InChIKeyUHRCDVBOGVBRPC-UHFFFAOYSA-N
XLogP42.52
TPSA411.70 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.60
LogP ≤ 542.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-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 6-[[3-chloro-4-[3-[6-[[3-chloro-4-[3-(2-chloro-4-pyridinyl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]phenoxy]methyl]pyridine-3-carbonyl]oxy-3-(2-chloro-4-pyridinyl)-4,4,4-trifluorobutan-2-yl]phenoxy]methyl]pyridine-3-carboxylate
CID 90910122
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
3,5,12,14-Tetramethoxy-19,36-bis(trifluoromethyl)-31-oxa-4,13-diaza-21,24,34-triazoniahexacyclo[32.4.0.02,7.010,15.016,21.024,29]octatriaconta-1(34),2,4,6,10,12,14,16(21),17,19,24,26,28,35,37-pentadecaen-30-one
CID 123204501
3,5,12,14-Tetramethoxy-17-methylidene-32-(trifluoromethyl)-16-(4,4,4-trifluoro-3-methylbut-2-enylidene)-20-oxa-4,13-diaza-17,27,30-triazoniapentacyclo[28.4.0.02,7.010,15.022,27]tetratriaconta-1(30),2,4,6,10,12,14,22,24,26,31,33-dodecaen-21-one
CID 123790940
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-[(3R)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]pyridine-3-carboxylic acid
CID 148805251
6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]pyridine-3-carboxylic acid
CID 148805252
2-Methyl-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid
CID 157159584
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
CID 157255302
(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium
CID 157344896
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
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[6-(2-hydroxyethoxy)-5-methoxy-3-pyridinyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;6-(2-hydroxyethoxy)-5-methoxypyridine-3-carboxylic acid;hydrochloride
CID 157605981

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 161094966) is carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid is CC(C)c1cc(C(=O)O)c(F)cn1.CC(C)c1cc(C(=O)O)ccn1.CC(C)c1cc(C(F)(F)F)cnc1C(=O)O.CC(C)c1ccc(C(=O)O)cn1.COc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1C.Cc1ccc(C(C)C)nc1C.Cc1ccc(C)c(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1cnc(C(C)C)c(C)c1.Cc1cnc(C(C)C)c(F)c1.Cc1nc(C(C)C)ccc1F.O=C=O.
What is the InChIKey of carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is UHRCDVBOGVBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.C10H15NO.4C10H15N.C9H10FNO2.3C9H12FN.2C9H11NO2.5C9H13N.CO2/c1-5(2)7-3-6(10(11,12)13)4-14-8(7)9(15)16;1-7(2)9-5-6-10(12-4)8(3)11-9;1-7(2)10-9(4)5-8(3)6-11-10;2*1-7(2)10-6-5-8(3)9(4)11-10;1-7(2)10-8(3)5-6-9(4)11-10;1-5(2)8-3-6(9(12)13)7(10)4-11-8;1-6(2)9-8(10)4-7(3)5-11-9;1-6(2)9-5-4-8(10)7(3)11-9;1-6(2)9-8(10)5-4-7(3)11-9;1-6(2)8-5-7(9(11)12)3-4-10-8;1-6(2)8-4-3-7(5-10-8)9(11)12;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-8(3)5-4-6-10-9;2*1-7(2)9-6-4-5-8(3)10-9;2-1-3/h3-5H,1-2H3,(H,15,16);5-7H,1-4H3;4*5-7H,1-4H3;3-5H,1-2H3,(H,12,13);3*4-6H,1-3H3;2*3-6H,1-2H3,(H,11,12);5*4-7H,1-3H3;.
What are the key properties of carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid?
carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 2688.60 g/mol, XLogP of 42.52, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-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;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 161094966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).