2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone

C197H275F5N20O5 — CID 159338405

IUPAC2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone
SMILESC#Cc1ccc(C(C)C)cn1.C#Cc1ncc(C(C)C)cc1C.C=C1C=C(C(C)C)C=CN1C.CC(=O)c1cc(C(C)C)ccn1.CC(C)c1ccc(C2CC2)nc1.CC(F)Oc1ccc(C(C)C)cn1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.CCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1cc(C(C)C)ccn1.COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)c(C)cn1.Cc1cc(C(C)C)c(F)cn1.Cc1cc(C(C)C)cc(C(F)(F)F)n1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15N.C11H13N.C10H12F3N.C10H14FNO.C10H13NO2.C10H15NO.C10H13NO.7C10H15N.C10H11N.C9H12FN.4C9H13N/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-5-11-9(4)6-10(7-12-11)8(2)3;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)9-5-8(3)11-10(6-9)12-4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-7(2)10-5-9(4)11-6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-8(2)10-5-6-11(4)9(3)7-10;2*1-4-10-7-9(8(2)3)5-6-11-10;3*1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)8-4-7(3)11-5-9(8)10;2*1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)10-6-9/h5-9H,3-4H2,1-2H3;1,6-8H,2-4H3;4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,3H2,1-2,4H3;4*5-8H,4H2,1-3H3;1,5-8H,2-3H3;4-6H,1-3H3;4*4-7H,1-3H3
InChIKeyLFVJCWOKJWVRKF-UHFFFAOYSA-N
MW3098.49 g/mol
LogP53.08
Rot. Bonds30

About 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone

2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone (PubChem CID 159338405) has the molecular formula C197H275F5N20O5 and a molecular weight of 3098.49 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone
PubChem CID159338405
Molecular FormulaC197H275F5N20O5
Molecular Weight3098.49 g/mol
Exact Mass3096.18
IUPAC Name2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone
SMILESC#Cc1ccc(C(C)C)cn1.C#Cc1ncc(C(C)C)cc1C.C=C1C=C(C(C)C)C=CN1C.CC(=O)c1cc(C(C)C)ccn1.CC(C)c1ccc(C2CC2)nc1.CC(F)Oc1ccc(C(C)C)cn1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.CCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1cc(C(C)C)ccn1.COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)c(C)cn1.Cc1cc(C(C)C)c(F)cn1.Cc1cc(C(C)C)cc(C(F)(F)F)n1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C11H15N.C11H13N.C10H12F3N.C10H14FNO.C10H13NO2.C10H15NO.C10H13NO.7C10H15N.C10H11N.C9H12FN.4C9H13N/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-5-11-9(4)6-10(7-12-11)8(2)3;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)9-5-8(3)11-10(6-9)12-4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-7(2)10-5-9(4)11-6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-8(2)10-5-6-11(4)9(3)7-10;2*1-4-10-7-9(8(2)3)5-6-11-10;3*1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)8-4-7(3)11-5-9(8)10;2*1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)10-6-9/h5-9H,3-4H2,1-2H3;1,6-8H,2-4H3;4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,3H2,1-2,4H3;4*5-8H,4H2,1-3H3;1,5-8H,2-3H3;4-6H,1-3H3;4*4-7H,1-3H3
InChIKeyLFVJCWOKJWVRKF-UHFFFAOYSA-N
XLogP53.08
TPSA309.98 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003098.49
LogP ≤ 553.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone 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 5-[[6-(2,2-difluoroethoxy)-5-(2-ethoxypyridin-4-yl)pyridin-3-yl]methyl]-3-fluoropyridine-2-carboxylate
CID 117603920
Methyl 5-[[6-ethoxy-5-(2-ethoxy-4-pyridinyl)-3-pyridinyl]methyl]-3-fluoropyridine-2-carboxylate
CID 118654825
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
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
2,5-Dimethyl-4-propan-2-ylpyridine;2,4-di(propan-2-yl)pyridine;2-ethoxy-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine-2-carbonitrile;methyl 4-propan-2-ylpyridine-2-carboxylate;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;(5-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157670844
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methyliminopent-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;(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-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)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 157701627
2-(4-Fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
CID 157887083
(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
But-3-yn-1-ol;2-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[5-(6-fluoro-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159190024
2-(4-Fluoro-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone)
CID 159207450
Ethyl 6-(2-bromocyclopenten-1-yl)pyridine-2-carboxylate;ethyl 6-[2-[2-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]cyclopenten-1-yl]pyridine-2-carboxylate;[2-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 159663686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone (CID 159338405) is 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone is C#Cc1ccc(C(C)C)cn1.C#Cc1ncc(C(C)C)cc1C.C=C1C=C(C(C)C)C=CN1C.CC(=O)c1cc(C(C)C)ccn1.CC(C)c1ccc(C2CC2)nc1.CC(F)Oc1ccc(C(C)C)cn1.CCc1cc(C(C)C)ccn1.CCc1cc(C(C)C)ccn1.CCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COC(=O)c1cc(C(C)C)ccn1.COc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)c(C)cn1.Cc1cc(C(C)C)c(F)cn1.Cc1cc(C(C)C)cc(C(F)(F)F)n1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone?
The InChIKey is LFVJCWOKJWVRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C11H13N.C10H12F3N.C10H14FNO.C10H13NO2.C10H15NO.C10H13NO.7C10H15N.C10H11N.C9H12FN.4C9H13N/c1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-5-11-9(4)6-10(7-12-11)8(2)3;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)9-5-8(3)11-10(6-9)12-4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-7(2)10-5-9(4)11-6-8(10)3;1-7(2)10-6-11-9(4)5-8(10)3;1-8(2)10-5-6-11(4)9(3)7-10;2*1-4-10-7-9(8(2)3)5-6-11-10;3*1-4-10-6-5-9(7-11-10)8(2)3;1-6(2)8-4-7(3)11-5-9(8)10;2*1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-5-4-8(3)10-6-9/h5-9H,3-4H2,1-2H3;1,6-8H,2-4H3;4-6H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-8H,3H2,1-2,4H3;4*5-8H,4H2,1-3H3;1,5-8H,2-3H3;4-6H,1-3H3;4*4-7H,1-3H3.
What are the key properties of 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone?
2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone has a molecular weight of 3098.49 g/mol, XLogP of 53.08, 30 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 159338405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).