tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine

C143H197Cl3F9N15O6S — CID 160828897

IUPACtert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnccc1C(F)(F)F.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1C(=O)N1CCCCC1.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H22N2O.C14H22N2O2.C13H15N.C11H16N2O.C10H12Cl2.C10H11ClF3N.2C10H12F3N.C10H15N.2C8H12N2.2C8H12O.C8H12S/c1-15(2,3)13-12(8-7-9-16-13)14(18)17-10-5-4-6-11-17;1-13(2,3)11-8-7-10(9-15-11)16-12(17)18-14(4,5)6;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-8(14)13-9-5-6-10(12-7-9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h7-9H,4-6,10-11H2,1-3H3;7-9H,1-6H3,(H,16,17);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;3*4-6H,1-3H3
InChIKeySGNRCQMBUSVSHI-UHFFFAOYSA-N
MW2531.66 g/mol
LogP42.17
Rot. Bonds3

About tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine

tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine (PubChem CID 160828897) has the molecular formula C143H197Cl3F9N15O6S and a molecular weight of 2531.66 g/mol. Its IUPAC name is tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nametert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
PubChem CID160828897
Molecular FormulaC143H197Cl3F9N15O6S
Molecular Weight2531.66 g/mol
Exact Mass2528.42
IUPAC Nametert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine
SMILESCC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnccc1C(F)(F)F.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1C(=O)N1CCCCC1.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H22N2O.C14H22N2O2.C13H15N.C11H16N2O.C10H12Cl2.C10H11ClF3N.2C10H12F3N.C10H15N.2C8H12N2.2C8H12O.C8H12S/c1-15(2,3)13-12(8-7-9-16-13)14(18)17-10-5-4-6-11-17;1-13(2,3)11-8-7-10(9-15-11)16-12(17)18-14(4,5)6;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-8(14)13-9-5-6-10(12-7-9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h7-9H,4-6,10-11H2,1-3H3;7-9H,1-6H3,(H,16,17);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;3*4-6H,1-3H3
InChIKeySGNRCQMBUSVSHI-UHFFFAOYSA-N
XLogP42.17
TPSA268.70 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.66
LogP ≤ 542.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-Chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 158547740
3-Chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 161455750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The IUPAC name of tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine (CID 160828897) is tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine is CC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)nc1.CC(C)(C)c1c(Cl)cccc1Cl.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnccc1C(F)(F)F.CC(C)(C)c1cnccn1.CC(C)(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1C(=O)N1CCCCC1.CC(C)(C)c1ncccc1C(F)(F)F.CC(C)(C)c1ncccn1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
The InChIKey is SGNRCQMBUSVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C14H22N2O2.C13H15N.C11H16N2O.C10H12Cl2.C10H11ClF3N.2C10H12F3N.C10H15N.2C8H12N2.2C8H12O.C8H12S/c1-15(2,3)13-12(8-7-9-16-13)14(18)17-10-5-4-6-11-17;1-13(2,3)11-8-7-10(9-15-11)16-12(17)18-14(4,5)6;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-8(14)13-9-5-6-10(12-7-9)11(2,3)4;1-10(2,3)9-7(11)5-4-6-8(9)12;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-9(2,3)8-6-14-5-4-7(8)10(11,12)13;1-9(2,3)8-7(10(11,12)13)5-4-6-14-8;1-8-6-5-7-9(11-8)10(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7/h7-9H,4-6,10-11H2,1-3H3;7-9H,1-6H3,(H,16,17);4-9H,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;3*4-6H,1-3H3.
What are the key properties of tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine?
tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine has a molecular weight of 2531.66 g/mol, XLogP of 42.17, 3 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-tert-butyl-3-pyridinyl)carbamate;2-tert-butyl-3-chloro-5-(trifluoromethyl)pyridine;2-tert-butyl-1,3-dichlorobenzene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylisoquinoline;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;N-(6-tert-butyl-3-pyridinyl)acetamide;(2-tert-butyl-3-pyridinyl)-piperidin-1-ylmethanone;2-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-3-(trifluoromethyl)pyridine;3-tert-butyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 160828897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).