tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate

C175H244F12N20O7 — CID 162055280

IUPACtert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)OC(=O)c1ccc(C(C)(C)C)nc1.COc1cc(F)cc(C(C)(C)C)c1.COc1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc(C(C)(C)C)ccc1F
InChIInChI=1S/C13H19NO2.C11H15FO.2C10H12F3N.C10H14FN.C10H14N2O.C10H13NO2.C10H15NO.3C10H15N.C10H14.C9H11F2N.2C9H12FN.3C8H12N2/c1-9(2)16-12(15)10-6-7-11(14-8-10)13(3,4)5;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-7-8(11)5-6-9(12-7)10(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h6-9H,1-5H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);4-6H,1-3H3,(H,12,13);5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3
InChIKeyYZCAXYJQVPNBKI-UHFFFAOYSA-N
MW2967.99 g/mol
LogP45.70
Rot. Bonds6

About tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate

tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate (PubChem CID 162055280) has the molecular formula C175H244F12N20O7 and a molecular weight of 2967.99 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate
PubChem CID162055280
Molecular FormulaC175H244F12N20O7
Molecular Weight2967.99 g/mol
Exact Mass2965.92
IUPAC Nametert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate
SMILESCC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)OC(=O)c1ccc(C(C)(C)C)nc1.COc1cc(F)cc(C(C)(C)C)c1.COc1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc(C(C)(C)C)ccc1F
InChIInChI=1S/C13H19NO2.C11H15FO.2C10H12F3N.C10H14FN.C10H14N2O.C10H13NO2.C10H15NO.3C10H15N.C10H14.C9H11F2N.2C9H12FN.3C8H12N2/c1-9(2)16-12(15)10-6-7-11(14-8-10)13(3,4)5;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-7-8(11)5-6-9(12-7)10(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h6-9H,1-5H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);4-6H,1-3H3,(H,12,13);5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3
InChIKeyYZCAXYJQVPNBKI-UHFFFAOYSA-N
XLogP45.70
TPSA370.06 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002967.99
LogP ≤ 545.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate with MolForge

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Related Compounds

US10087188, Example 180
CID 121455556
US10087188, Example 181
CID 121461221
Ethyl 6-ethoxy-7-methyl-4-(4-phenylmethoxyanilino)-1,8-naphthyridine-3-carboxylate;ethyl 6-ethoxy-7-methyl-4-[4-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 67873187
6-(3,3-difluoropiperidin-1-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one;ethyl 3-[4-[4-[[3-(5-methoxy-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidin-1-yl]propanoate
CID 87192076
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
2-fluoro-N-[1-[2-[4-fluoro-5-[[5-[5-(hydroxymethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-5-yl]-2-phenyl-5-pyridin-2-yloxypyridin-1-ium-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 123927950
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
4-fluoro-3-[2-[2-[[6-[[[4-fluoro-3-methoxy-5-[2-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-5-yl]ethyl]benzoyl]amino]methyl]-2-methoxy-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 130206695
N-ethyl-4-[[(1S)-1-[8-(2-methoxy-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]-2-methylpyrimidine-5-carboxamide;N-(2-hydroxyethyl)-2-methyl-4-[[(1S)-1-[8-(2-methyl-4-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenyl-8-[5-(trifluoromethoxy)-3-pyridinyl]isoquinolin-1-one;methane;8-(2-methoxy-4-pyridinyl)-3-[(1S)-1-[(2-methyl-5-pyridin-2-ylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 157126534
2-Tert-butyl-5-chloropyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;methane;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 157453987
2-tert-butylpyrimidine;2-tert-butylquinoline;2-chloro-5-propan-2-ylpyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 157618371
5-[3-Fluoro-5-(2-methylpropoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid;methyl 2-amino-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 157893471

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate?
The IUPAC name of tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate (CID 162055280) is tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate is CC(C)(C)c1ccc(C(=O)O)cn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)OC(=O)c1ccc(C(C)(C)C)nc1.COc1cc(F)cc(C(C)(C)C)c1.COc1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc(C(C)(C)C)ccc1F.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate?
The InChIKey is YZCAXYJQVPNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C11H15FO.2C10H12F3N.C10H14FN.C10H14N2O.C10H13NO2.C10H15NO.3C10H15N.C10H14.C9H11F2N.2C9H12FN.3C8H12N2/c1-9(2)16-12(15)10-6-7-11(14-8-10)13(3,4)5;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-7-8(11)5-6-9(12-7)10(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-4-7(6-11-8)9(12)13;1-10(2,3)9-8(12-4)6-5-7-11-9;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h6-9H,1-5H3;5-7H,1-4H3;2*4-6H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);4-6H,1-3H3,(H,12,13);5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;3*4-6H,1-3H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate?
tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate has a molecular weight of 2967.99 g/mol, XLogP of 45.70, 6 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-3,5-difluoropyridine;1-tert-butyl-3-fluoro-5-methoxybenzene;6-tert-butyl-3-fluoro-2-methylpyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-3-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;bis(2-tert-butylpyrazine);6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridine-3-carboxylic acid;2-tert-butylpyrimidine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;propan-2-yl 6-tert-butylpyridine-3-carboxylate is sourced from PubChem (CID 162055280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).