2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one

C109H142N10O4 — CID 165025792

IUPAC2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(CCc2ccccc2)nc1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(Oc2ccccc2)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1OCc1ccccc1
InChIInChI=1S/C17H21N.2C16H19NO.C15H17NO.C9H14N2.C9H13NO.3C9H13N/c1-17(2,3)15-10-12-16(18-13-15)11-9-14-7-5-4-6-8-14;1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13;1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-10-7-11-14(16-13)17-12-8-5-4-6-9-12;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h4-8,10,12-13H,9,11H2,1-3H3;2*4-11H,12H2,1-3H3;4-11H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3
InChIKeyLWAHANZRYSHEGO-UHFFFAOYSA-N
MW1656.40 g/mol
LogP27.02
Rot. Bonds11

About 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one

2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one (PubChem CID 165025792) has the molecular formula C109H142N10O4 and a molecular weight of 1656.40 g/mol. Its IUPAC name is 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one
PubChem CID165025792
Molecular FormulaC109H142N10O4
Molecular Weight1656.40 g/mol
Exact Mass1655.12
IUPAC Name2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one
SMILESCC(C)(C)c1ccc(CCc2ccccc2)nc1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(Oc2ccccc2)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1OCc1ccccc1
InChIInChI=1S/C17H21N.2C16H19NO.C15H17NO.C9H14N2.C9H13NO.3C9H13N/c1-17(2,3)15-10-12-16(18-13-15)11-9-14-7-5-4-6-8-14;1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13;1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-10-7-11-14(16-13)17-12-8-5-4-6-9-12;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h4-8,10,12-13H,9,11H2,1-3H3;2*4-11H,12H2,1-3H3;4-11H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3
InChIKeyLWAHANZRYSHEGO-UHFFFAOYSA-N
XLogP27.02
TPSA189.69 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.40
LogP ≤ 527.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267
2-tert-butyl-5-methoxypyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;ethane;methane
CID 160529531
3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one
CID 158149057
bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)
CID 158975687
4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline
CID 107874976
2-tert-butyl-6-pyridin-2-yloxypyridine
CID 176632030
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
8-(2-methylsulfonylpropan-2-yl)-6-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]quinoline
CID 69374134
1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
CID 11509064
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one?
The IUPAC name of 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one (CID 165025792) is 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one?
The canonical SMILES for 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one is CC(C)(C)c1ccc(CCc2ccccc2)nc1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)(C)c1cccc(=O)[nH]1.CC(C)(C)c1cccc(N)n1.CC(C)(C)c1cccc(Oc2ccccc2)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnc1OCc1ccccc1.
What is the InChIKey of 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one?
The InChIKey is LWAHANZRYSHEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.2C16H19NO.C15H17NO.C9H14N2.C9H13NO.3C9H13N/c1-17(2,3)15-10-12-16(18-13-15)11-9-14-7-5-4-6-8-14;1-16(2,3)14-10-7-11-17-15(14)18-12-13-8-5-4-6-9-13;1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-15(2,3)13-10-7-11-14(16-13)17-12-8-5-4-6-9-12;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-4-6-8(11)10-7;2*1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8/h4-8,10,12-13H,9,11H2,1-3H3;2*4-11H,12H2,1-3H3;4-11H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one?
2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one has a molecular weight of 1656.40 g/mol, XLogP of 27.02, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 165025792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).