5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine

C147H197ClF7N15O10S3 — CID 159377920

IUPAC5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine
SMILESCC(C)(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cncnc1.CNC(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C14H21NO3S.C13H16N2.C13H18.C11H13F3O2S.C11H13F3O.C11H16N2O.C11H16O2S.C10H12N2.C10H15NO.C10H15N.C9H12ClN.C9H12FN.C8H12N2.C7H6N2/c1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2,3)8-4-6-9(7-5-8)17(15,16)11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)8-5-6-9(13-7-8)10(14)12-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-10(2,3)8-5-6-9(11-4)12-7-8;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;2*1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-4-9-6-10-5-7;1-6-3-4-7(8-2)5-9-6/h4-7H,8-11H2,1-3H3;4-9H,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1H3
InChIKeyLKNYNHCRGUKVMZ-UHFFFAOYSA-N
MW2598.93 g/mol
LogP37.80
Rot. Bonds9

About 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine

5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine (PubChem CID 159377920) has the molecular formula C147H197ClF7N15O10S3 and a molecular weight of 2598.93 g/mol. Its IUPAC name is 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine.

Molecular Properties

Compound Name5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine
PubChem CID159377920
Molecular FormulaC147H197ClF7N15O10S3
Molecular Weight2598.93 g/mol
Exact Mass2596.41
IUPAC Name5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine
SMILESCC(C)(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cncnc1.CNC(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C)nc1
InChIInChI=1S/C14H21NO3S.C13H16N2.C13H18.C11H13F3O2S.C11H13F3O.C11H16N2O.C11H16O2S.C10H12N2.C10H15NO.C10H15N.C9H12ClN.C9H12FN.C8H12N2.C7H6N2/c1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2,3)8-4-6-9(7-5-8)17(15,16)11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)8-5-6-9(13-7-8)10(14)12-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-10(2,3)8-5-6-9(11-4)12-7-8;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;2*1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-4-9-6-10-5-7;1-6-3-4-7(8-2)5-9-6/h4-7H,8-11H2,1-3H3;4-9H,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1H3
InChIKeyLKNYNHCRGUKVMZ-UHFFFAOYSA-N
XLogP37.80
TPSA315.86 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002598.93
LogP ≤ 537.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine with MolForge

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Related Compounds

1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;2-tert-butyl-5-isocyanopyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-6-propan-2-ylpyridine;5-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene
CID 157193674
5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-[4-(1,1-difluoroethoxy)phenyl]-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide
CID 157426942
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;2-(4-tert-butylcyclohexyl)-5-ethylpyrimidine;4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
CID 159613797
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;1-tert-butyl-2-methyl-4-methylsulfonylbenzene;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 161987565
1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 172973464
5-(4-chlorophenyl)-4-propan-2-yl-1H-pyrimidin-6-one;3-[3-(cyclopropylmethylsulfonyl)phenyl]-2-propan-2-ylpyridine;3-(4-cyclopropyloxyphenyl)-2-propan-2-ylpyridine;3-(4-ethoxyphenyl)-2-propan-2-ylpyridine;2-ethyl-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-[4-(1-fluoroethoxy)phenyl]-2-propan-2-ylpyridine;2-fluoro-N-methyl-5-(5-methyl-2-propan-2-yl-3-pyridinyl)benzamide;5-(4-methylphenyl)-4-propan-2-ylpyrimidine;5-(3-methylsulfonylphenyl)-4-propan-2-ylpyrimidine;4-(2-propan-2-yl-3-pyridinyl)pyridine-2-carboxamide;2-propan-2-yl-3-[2-(3H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 158289177

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine?
The IUPAC name of 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine (CID 159377920) is 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine.
What is the SMILES notation for 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine?
The canonical SMILES for 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine is CC(C)(C)c1ccc(-c2ncc[nH]2)cc1.CC(C)(C)c1ccc(C2CC2)cc1.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1.CC(C)(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cncnc1.CNC(=O)c1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C(C)(C)C)cn1.[C-]#[N+]c1ccc(C)nc1.
What is the InChIKey of 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine?
The InChIKey is LKNYNHCRGUKVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S.C13H16N2.C13H18.C11H13F3O2S.C11H13F3O.C11H16N2O.C11H16O2S.C10H12N2.C10H15NO.C10H15N.C9H12ClN.C9H12FN.C8H12N2.C7H6N2/c1-14(2,3)12-4-6-13(7-5-12)19(16,17)15-8-10-18-11-9-15;1-13(2,3)11-6-4-10(5-7-11)12-14-8-9-15-12;1-13(2,3)12-8-6-11(7-9-12)10-4-5-10;1-10(2,3)8-4-6-9(7-5-8)17(15,16)11(12,13)14;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-11(2,3)8-5-6-9(13-7-8)10(14)12-4;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-10(2,3)8-5-6-9(11-4)12-7-8;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;2*1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-4-9-6-10-5-7;1-6-3-4-7(8-2)5-9-6/h4-7H,8-11H2,1-3H3;4-9H,1-3H3,(H,14,15);6-10H,4-5H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3;5-7H,1-4H3,(H,12,14);5-8H,1-4H3;5-7H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-5H,1H3.
What are the key properties of 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine?
5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine has a molecular weight of 2598.93 g/mol, XLogP of 37.80, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine is sourced from PubChem (CID 159377920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).