tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate

C164H244F8N16O8 — CID 158549359

IUPACtert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
SMILESCC(=O)c1cccc(C(C)(C)C)n1.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cc(C(N)=O)ccn1.CC(C)(C)c1cc(CO)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CN)n1.CC(C)(C)c1cccc(CO)n1.CC(O)c1cccc(C(C)(C)C)n1.CCc1ccnc(C(C)(C)C)c1.COC(=O)c1ccnc(C(C)(C)C)c1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C11H15NO2.C11H15NO.C11H17NO.C11H15NO.C11H17N.2C10H12F3N.C10H13F2N.C10H14N2O.C10H16N2.2C10H15NO.2C10H15N.C10H20.C9H18/c1-11(2,3)9-7-8(5-6-12-9)10(13)14-4;1-8(13)9-6-5-7-12-10(9)11(2,3)4;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-5-9-6-7-12-10(8-9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-10(2,3)8-6-7(9(11)13)4-5-12-8;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)9-6-8(7-12)4-5-11-9;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h5-7H,1-4H3;5-7H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3,(H2,11,13);4-6H,7,11H2,1-3H3;2*4-6,12H,7H2,1-3H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyHPNFGDSUHRGARR-UHFFFAOYSA-N
MW2719.84 g/mol
LogP42.08
Rot. Bonds10

About tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate

tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate (PubChem CID 158549359) has the molecular formula C164H244F8N16O8 and a molecular weight of 2719.84 g/mol. Its IUPAC name is tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
PubChem CID158549359
Molecular FormulaC164H244F8N16O8
Molecular Weight2719.84 g/mol
Exact Mass2717.91
IUPAC Nametert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
SMILESCC(=O)c1cccc(C(C)(C)C)n1.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cc(C(N)=O)ccn1.CC(C)(C)c1cc(CO)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CN)n1.CC(C)(C)c1cccc(CO)n1.CC(O)c1cccc(C(C)(C)C)n1.CCc1ccnc(C(C)(C)C)c1.COC(=O)c1ccnc(C(C)(C)C)c1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1
InChIInChI=1S/C11H15NO2.C11H15NO.C11H17NO.C11H15NO.C11H17N.2C10H12F3N.C10H13F2N.C10H14N2O.C10H16N2.2C10H15NO.2C10H15N.C10H20.C9H18/c1-11(2,3)9-7-8(5-6-12-9)10(13)14-4;1-8(13)9-6-5-7-12-10(9)11(2,3)4;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-5-9-6-7-12-10(8-9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-10(2,3)8-6-7(9(11)13)4-5-12-8;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)9-6-8(7-12)4-5-11-9;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h5-7H,1-4H3;5-7H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3,(H2,11,13);4-6H,7,11H2,1-3H3;2*4-6,12H,7H2,1-3H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyHPNFGDSUHRGARR-UHFFFAOYSA-N
XLogP42.08
TPSA370.70 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002719.84
LogP ≤ 542.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate with MolForge

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Related Compounds

2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 123528465
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S,4R)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R,4S)-4-hydroxy-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2R)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone;1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S)-2-(trifluoromethyl)oxan-2-yl]-3-pyridinyl]ethanone
CID 157643148
Ethyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;ethyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid;methyl 2-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate;methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159227653
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
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872
2-Methyl-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxylate;bis(methyl 2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylate);2-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridine-2-carboxylic acid
CID 160696486
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
Tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-4-methylpyridine;1-(3-tert-butylphenyl)ethanone;(3-tert-butylphenyl)methanol;2-tert-butylpyridine-4-carboxamide;2-tert-butylpyridine-4-carboxylic acid;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-3-pyridinyl)methanol;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
CID 161843862
methyl 4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;methyl 4-[3-[(2S,3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxopropyl]-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 161858983
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
Potassium;3-acetyl-1-[(2-phenylphenyl)methyl]-1,5-naphthyridin-4-one;deuteriomethane;2-ethylidene-1-(3-fluoro-2-pyridinyl)butane-1,3-dione;fluoromethane;3-fluoropyridine-2-carboxylic acid;1-(3-fluoro-2-pyridinyl)butane-1,3-dione;3-oxobutanoate;oxolane;4-oxo-1-[(2-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic acid;(2-phenylphenyl)methanamine
CID 157226481
5-Methylpyridine-2-carboxylic acid;bis(5-methylpyridine-3-carboxylic acid);piperidin-4-yl 5-methylpyridine-3-carboxylate
CID 157412362

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate?
The IUPAC name of tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate (CID 158549359) is tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate.
What is the SMILES notation for tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate?
The canonical SMILES for tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate is CC(=O)c1cccc(C(C)(C)C)n1.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(C(F)F)ccn1.CC(C)(C)c1cc(C(N)=O)ccn1.CC(C)(C)c1cc(CO)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CN)n1.CC(C)(C)c1cccc(CO)n1.CC(O)c1cccc(C(C)(C)C)n1.CCc1ccnc(C(C)(C)C)c1.COC(=O)c1ccnc(C(C)(C)C)c1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.
What is the InChIKey of tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate?
The InChIKey is HPNFGDSUHRGARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C11H15NO.C11H17NO.C11H15NO.C11H17N.2C10H12F3N.C10H13F2N.C10H14N2O.C10H16N2.2C10H15NO.2C10H15N.C10H20.C9H18/c1-11(2,3)9-7-8(5-6-12-9)10(13)14-4;1-8(13)9-6-5-7-12-10(9)11(2,3)4;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-5-9-6-7-12-10(8-9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-6-7(9(11)12)4-5-13-8;1-10(2,3)8-6-7(9(11)13)4-5-12-8;1-10(2,3)9-6-4-5-8(7-11)12-9;1-10(2,3)9-6-8(7-12)4-5-11-9;1-10(2,3)9-6-4-5-8(7-12)11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-8/h5-7H,1-4H3;5-7H,1-4H3;5-8,13H,1-4H3;5-7H,1-4H3;6-8H,5H2,1-4H3;2*4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3,(H2,11,13);4-6H,7,11H2,1-3H3;2*4-6,12H,7H2,1-3H3;2*5-7H,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate?
tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate has a molecular weight of 2719.84 g/mol, XLogP of 42.08, 10 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate is sourced from PubChem (CID 158549359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).