4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine

C137H202F2N10O8 — CID 159071656

About 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine

4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine (PubChem CID 159071656) has the molecular formula C137H202F2N10O8 and a molecular weight of 2155.18 g/mol. Its IUPAC name is 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine.

Molecular Properties

• Compound Name: 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine
• PubChem CID: 159071656
• Molecular Formula: C137H202F2N10O8
• Molecular Weight: 2155.18 g/mol
• Exact Mass: 2153.57
• IUPAC Name: 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine
• SMILES: CC(C)(C)C1CCOCC1.CC(C)(C)c1c(CO)cc[nH]c1=O.CC(C)(C)c1c(F)cncc1F.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccnc(CO)c1C(C)(C)C.COc1ncnc(CO)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C14H16.C13H17N.C12H19N.C11H17NO2.2C11H16.C10H16N2O2.C10H15NO2.C9H11F2N.C9H15NO.2C9H13N.C9H18O/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-11(2,3)10-8(7-13)12-6-5-9(10)14-4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-7(5-13)11-6-12-9(8)14-4;1-10(2,3)8-7(6-12)4-5-11-9(8)13;1-9(2,3)8-6(10)4-12-5-7(8)11;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;6,13H,5H2,1-4H3;4-5,12H,6H2,1-3H3,(H,11,13);4-5H,1-3H3;1-5H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3
• InChIKey: JZSMHJLQRAGLCI-UHFFFAOYSA-N
• XLogP: 34.03
• TPSA: 232.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.18
LogP ≤ 5	34.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine?

The IUPAC name of 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine (CID 159071656) is 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine.

What is the SMILES notation for 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine?

The canonical SMILES for 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine is CC(C)(C)C1CCOCC1.CC(C)(C)c1c(CO)cc[nH]c1=O.CC(C)(C)c1c(F)cncc1F.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CN(C)c1ccc(C(C)(C)C)cc1.COc1ccnc(CO)c1C(C)(C)C.COc1ncnc(CO)c1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1ccccc1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)c2ccccc21.

What is the InChIKey of 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine?

The InChIKey is JZSMHJLQRAGLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H17N.C12H19N.C11H17NO2.2C11H16.C10H16N2O2.C10H15NO2.C9H11F2N.C9H15NO.2C9H13N.C9H18O/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-11(2,3)10-8(7-13)12-6-5-9(10)14-4;2*1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-7(5-13)11-6-12-9(8)14-4;1-10(2,3)8-7(6-12)4-5-11-9(8)13;1-9(2,3)8-6(10)4-12-5-7(8)11;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8/h4-10H,1-3H3;5-9H,1-4H3;6-9H,1-5H3;5-6,13H,7H2,1-4H3;2*5-8H,1-4H3;6,13H,5H2,1-4H3;4-5,12H,6H2,1-3H3,(H,11,13);4-5H,1-3H3;1-5H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3.

What are the key properties of 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine?

4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine has a molecular weight of 2155.18 g/mol, XLogP of 34.03, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3,5-difluoropyridine;4-tert-butyl-N,N-dimethylaniline;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-4-(hydroxymethyl)-1H-pyridin-2-one;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;bis(1-tert-butyl-2-methylbenzene);3-tert-butyl-1-methylindole;2-tert-butylnaphthalene;4-tert-butyloxane;3-tert-butylpyridine;4-tert-butylpyridine is sourced from PubChem (CID 159071656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).