6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine

C239H319ClF3N43O8 — CID 159892422

IUPAC6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine
SMILESCC(C)(C)c1cc(-n2cccn2)ccn1.CC(C)(C)c1cc(-n2cnnc2)ccn1.CC(C)(C)c1ccc(-n2cccn2)nc1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cn1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnccc1-n1cccn1.CC(C)c1ccc(-n2cccc2)nc1.CC(C)c1cccc(-n2cccn2)c1.CCc1ccc(C(C)(C)C)nc1.COc1c(-n2cccn2)cccc1C(C)(C)C.COc1ccc(C(C)(C)C)nc1OC.COc1cccc(C(C)(C)C)n1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1nc(C(C)(C)C)ccc1Cl.Cc1ccc(-n2cccn2)c(C(C)(C)C)n1.Cc1ccc(-n2cncn2)c(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H18N2O.C13H17N3.C13H16N2.C12H16N4.5C12H15N3.2C12H14N2.C11H14N4.C11H17NO2.C11H17N.C10H14ClNO.C10H12F3NO.3C10H15NO.2C10H15N/c1-14(2,3)11-7-5-8-12(13(11)17-4)16-10-6-9-15-16;1-10-6-7-11(16-9-5-8-14-16)12(15-10)13(2,3)4;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-9-5-6-10(16-8-13-7-14-16)11(15-9)12(2,3)4;1-12(2,3)10-5-6-11(13-9-10)15-8-4-7-14-15;1-12(2,3)10-9-13-7-5-11(10)15-8-4-6-14-15;1-12(2,3)11-9-10(5-7-13-11)15-8-4-6-14-15;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13-14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-11(2,3)10-6-9(4-5-12-10)15-7-13-14-8-15;1-11(2,3)9-7-6-8(13-4)10(12-9)14-5;1-5-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-6-5-7(11)9(12-8)13-4;1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;5-8H,1-4H3;5*4-9H,1-3H3;2*3-10H,1-2H3;4-8H,1-3H3;6-7H,1-5H3;6-8H,5H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3
InChIKeyNUXQXLLWKSPEFT-UHFFFAOYSA-N
MW4014.92 g/mol
LogP56.46
Rot. Bonds23

About 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine

6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine (PubChem CID 159892422) has the molecular formula C239H319ClF3N43O8 and a molecular weight of 4014.92 g/mol. Its IUPAC name is 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine
PubChem CID159892422
Molecular FormulaC239H319ClF3N43O8
Molecular Weight4014.92 g/mol
Exact Mass4011.55
IUPAC Name6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine
SMILESCC(C)(C)c1cc(-n2cccn2)ccn1.CC(C)(C)c1cc(-n2cnnc2)ccn1.CC(C)(C)c1ccc(-n2cccn2)nc1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cn1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnccc1-n1cccn1.CC(C)c1ccc(-n2cccc2)nc1.CC(C)c1cccc(-n2cccn2)c1.CCc1ccc(C(C)(C)C)nc1.COc1c(-n2cccn2)cccc1C(C)(C)C.COc1ccc(C(C)(C)C)nc1OC.COc1cccc(C(C)(C)C)n1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1nc(C(C)(C)C)ccc1Cl.Cc1ccc(-n2cccn2)c(C(C)(C)C)n1.Cc1ccc(-n2cncn2)c(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C14H18N2O.C13H17N3.C13H16N2.C12H16N4.5C12H15N3.2C12H14N2.C11H14N4.C11H17NO2.C11H17N.C10H14ClNO.C10H12F3NO.3C10H15NO.2C10H15N/c1-14(2,3)11-7-5-8-12(13(11)17-4)16-10-6-9-15-16;1-10-6-7-11(16-9-5-8-14-16)12(15-10)13(2,3)4;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-9-5-6-10(16-8-13-7-14-16)11(15-9)12(2,3)4;1-12(2,3)10-5-6-11(13-9-10)15-8-4-7-14-15;1-12(2,3)10-9-13-7-5-11(10)15-8-4-6-14-15;1-12(2,3)11-9-10(5-7-13-11)15-8-4-6-14-15;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13-14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-11(2,3)10-6-9(4-5-12-10)15-7-13-14-8-15;1-11(2,3)9-7-6-8(13-4)10(12-9)14-5;1-5-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-6-5-7(11)9(12-8)13-4;1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;5-8H,1-4H3;5*4-9H,1-3H3;2*3-10H,1-2H3;4-8H,1-3H3;6-7H,1-5H3;6-8H,5H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3
InChIKeyNUXQXLLWKSPEFT-UHFFFAOYSA-N
XLogP56.46
TPSA532.59 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds23
Heavy Atoms294
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004014.92
LogP ≤ 556.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine?
The IUPAC name of 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine (CID 159892422) is 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine.
What is the SMILES notation for 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine?
The canonical SMILES for 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine is CC(C)(C)c1cc(-n2cccn2)ccn1.CC(C)(C)c1cc(-n2cnnc2)ccn1.CC(C)(C)c1ccc(-n2cccn2)nc1.CC(C)(C)c1ccc(-n2ccnc2)nc1.CC(C)(C)c1ccc(OC(F)(F)F)cn1.CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2cccn2)n1.CC(C)(C)c1cnccc1-n1cccn1.CC(C)c1ccc(-n2cccc2)nc1.CC(C)c1cccc(-n2cccn2)c1.CCc1ccc(C(C)(C)C)nc1.COc1c(-n2cccn2)cccc1C(C)(C)C.COc1ccc(C(C)(C)C)nc1OC.COc1cccc(C(C)(C)C)n1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.COc1nc(C(C)(C)C)ccc1Cl.Cc1ccc(-n2cccn2)c(C(C)(C)C)n1.Cc1ccc(-n2cncn2)c(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine?
The InChIKey is NUXQXLLWKSPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H17N3.C13H16N2.C12H16N4.5C12H15N3.2C12H14N2.C11H14N4.C11H17NO2.C11H17N.C10H14ClNO.C10H12F3NO.3C10H15NO.2C10H15N/c1-14(2,3)11-7-5-8-12(13(11)17-4)16-10-6-9-15-16;1-10-6-7-11(16-9-5-8-14-16)12(15-10)13(2,3)4;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-9-5-6-10(16-8-13-7-14-16)11(15-9)12(2,3)4;1-12(2,3)10-5-6-11(13-9-10)15-8-4-7-14-15;1-12(2,3)10-9-13-7-5-11(10)15-8-4-6-14-15;1-12(2,3)11-9-10(5-7-13-11)15-8-4-6-14-15;1-12(2,3)10-6-4-7-11(14-10)15-9-5-8-13-15;1-12(2,3)10-4-5-11(14-8-10)15-7-6-13-9-15;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13-14;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-11(2,3)10-6-9(4-5-12-10)15-7-13-14-8-15;1-11(2,3)9-7-6-8(13-4)10(12-9)14-5;1-5-9-6-7-10(12-8-9)11(2,3)4;1-10(2,3)8-6-5-7(11)9(12-8)13-4;1-9(2,3)8-5-4-7(6-14-8)15-10(11,12)13;1-10(2,3)9-7-8(12-4)5-6-11-9;2*1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4/h5-10H,1-4H3;5-9H,1-4H3;4-10H,1-3H3;5-8H,1-4H3;5*4-9H,1-3H3;2*3-10H,1-2H3;4-8H,1-3H3;6-7H,1-5H3;6-8H,5H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine?
6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine has a molecular weight of 4014.92 g/mol, XLogP of 56.46, 23 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-chloro-2-methoxypyridine;6-tert-butyl-2,3-dimethoxypyridine;2-tert-butyl-5-ethylpyridine;5-tert-butyl-2-imidazol-1-ylpyridine;1-(3-tert-butyl-2-methoxyphenyl)pyrazole;2-tert-butyl-4-methoxypyridine;bis(2-tert-butyl-6-methoxypyridine);2-tert-butyl-6-methyl-3-pyrazol-1-ylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-6-methyl-3-(1,2,4-triazol-1-yl)pyridine;1-(3-tert-butylphenyl)pyrazole;2-tert-butyl-4-pyrazol-1-ylpyridine;2-tert-butyl-6-pyrazol-1-ylpyridine;3-tert-butyl-4-pyrazol-1-ylpyridine;5-tert-butyl-2-pyrazol-1-ylpyridine;2-tert-butyl-4-(1,2,4-triazol-4-yl)pyridine;2-tert-butyl-5-(trifluoromethoxy)pyridine;1-(3-propan-2-ylphenyl)pyrazole;5-propan-2-yl-2-pyrrol-1-ylpyridine is sourced from PubChem (CID 159892422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).