3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one

C238H353BrClN23O12 — CID 157488930

IUPAC3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one
SMILESC=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cncc(O)c1.CC1=CC=C(C(C)(C)C)CC1=O.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H17NO.3C11H16O.C11H16.C10H14N2O.C10H15NO.C10H19N.6C10H15N.C10H14O.C9H11BrClN.2C9H14N2.4C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;5-6H,7H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;6*5-7H,1-4H3;4-7,11H,1-3H3;4-5H,1-3H3;2*5-6,10H,1H2,2-4H3;4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyBXASEZRUFYAVID-UHFFFAOYSA-N
MW3843.95 g/mol
LogP59.30
Rot. Bonds7

About 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one

3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one (PubChem CID 157488930) has the molecular formula C238H353BrClN23O12 and a molecular weight of 3843.95 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one
PubChem CID157488930
Molecular FormulaC238H353BrClN23O12
Molecular Weight3843.95 g/mol
Exact Mass3839.66
IUPAC Name3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one
SMILESC=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cncc(O)c1.CC1=CC=C(C(C)(C)C)CC1=O.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C11H16N2O.C11H17NO.3C11H16O.C11H16.C10H14N2O.C10H15NO.C10H19N.6C10H15N.C10H14O.C9H11BrClN.2C9H14N2.4C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;5-6H,7H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;6*5-7H,1-4H3;4-7,11H,1-3H3;4-5H,1-3H3;2*5-6,10H,1H2,2-4H3;4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11);4-7H,1-3H3
InChIKeyBXASEZRUFYAVID-UHFFFAOYSA-N
XLogP59.30
TPSA493.60 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds7
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003843.95
LogP ≤ 559.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methylbenzene;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;1-(6-tert-butyl-3-pyridinyl)ethanone
CID 157108007
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;3-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;(2-tert-butylphenyl)methanol;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carbonitrile
CID 157553556
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane
CID 158813191
5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
CID 159947482
3-bromo-5-tert-butyl-2-chloropyridine;5-bromo-2-tert-butylpyridine;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-5-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid;methyl 6-tert-butylpyridine-3-carboxylate
CID 160389777
3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol
CID 160689576

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one (CID 157488930) is 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one is C=C1C=CC(C(C)(C)C)=NN1.C=C1C=NC(C(C)(C)C)=CN1.C=C1CCC(C(C)(C)C)CN1.CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccccc1O.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc(Cl)c(Br)c1.CC(C)(C)c1cncc(O)c1.CC1=CC=C(C(C)(C)C)CC1=O.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one?
The InChIKey is BXASEZRUFYAVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H17NO.3C11H16O.C11H16.C10H14N2O.C10H15NO.C10H19N.6C10H15N.C10H14O.C9H11BrClN.2C9H14N2.4C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11-8)10(2,3)4;4*1-8-5-6-9(11-7-8)10(2,3)4;2*1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)6-4-7(10)8(11)12-5-6;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)7-4-8(11)6-10-5-7;1-9(2,3)8-6-7(11)4-5-10-8;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)7-4-5-8(11)10-6-7;1-9(2,3)8-5-4-6-10-7-8/h5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;5-6H,7H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);5-7H,1-4H3;9,11H,1,5-7H2,2-4H3;6*5-7H,1-4H3;4-7,11H,1-3H3;4-5H,1-3H3;2*5-6,10H,1H2,2-4H3;4-6,11H,1-3H3;3*4-6H,1-3H3,(H,10,11);4-7H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one?
3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one has a molecular weight of 3843.95 g/mol, XLogP of 59.30, 7 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;5-tert-butyl-2-methylcyclohexa-2,4-dien-1-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;tetrakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylphenol;3-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;5-tert-butylpyridin-3-ol;2-tert-butyl-1H-pyridin-4-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 157488930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).