3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine

C245H347BrCl2F28N48 — CID 163625110

IUPAC3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1C(F)(F)F.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1C(F)(F)F.CC(C)c1ncc(Cl)cc1F.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1F.CC(C)c1nccnc1C(F)(F)F.CC(C)c1nnccc1C(F)(F)F.CCCn1cc(C(C)C)cn1.CCn1nncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1Br.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ncc(C(C)C)cn1.Cc1ncc(F)c(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H15N.C9H12BrN.2C9H10F3N.2C9H12FN.C9H16N2.2C9H13N.C8H9ClFN.C8H10ClN.2C8H11F3N2.2C8H9F3N2.C8H11FN2.3C8H10FN.2C8H14N2.4C8H12N2.C7H9F3N2.C7H13N3.3C7H12N2/c1-8-5-6-11-9(7-8)10(2,3)4;1-6(2)9-8(10)7(3)4-5-11-9;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-4-3-5-13-8(7)9(10,11)12;2*1-6(2)9-8(10)7(3)4-5-11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-12-13(3)7(6)8(9,10)11;1-5(2)6-7(8(9,10)11)13-4-3-12-6;1-5(2)7-6(8(9,10)11)3-4-12-13-7;1-5(2)8-7(9)4-10-6(3)11-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-9-5-4-7(3)10-8;1-4(2)5-3-11-12-6(5)7(8,9)10;1-4-10-7(6(2)3)5-8-9-10;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3/h5-7H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-6H,1-3H3;6-8H,4-5H2,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3;4-5H,1-3H3;3*3-6H,1-2H3;2*5-6H,1-4H3;4*4-6H,1-3H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;3*4-6H,1-3H3
InChIKeyHRJBKEKYDKPVKA-UHFFFAOYSA-N
MW4647.56 g/mol
LogP70.40
Rot. Bonds32

About 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine

3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 163625110) has the molecular formula C245H347BrCl2F28N48 and a molecular weight of 4647.56 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID163625110
Molecular FormulaC245H347BrCl2F28N48
Molecular Weight4647.56 g/mol
Exact Mass4642.67
IUPAC Name3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1C(F)(F)F.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1C(F)(F)F.CC(C)c1ncc(Cl)cc1F.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1F.CC(C)c1nccnc1C(F)(F)F.CC(C)c1nnccc1C(F)(F)F.CCCn1cc(C(C)C)cn1.CCn1nncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1Br.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ncc(C(C)C)cn1.Cc1ncc(F)c(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H15N.C9H12BrN.2C9H10F3N.2C9H12FN.C9H16N2.2C9H13N.C8H9ClFN.C8H10ClN.2C8H11F3N2.2C8H9F3N2.C8H11FN2.3C8H10FN.2C8H14N2.4C8H12N2.C7H9F3N2.C7H13N3.3C7H12N2/c1-8-5-6-11-9(7-8)10(2,3)4;1-6(2)9-8(10)7(3)4-5-11-9;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-4-3-5-13-8(7)9(10,11)12;2*1-6(2)9-8(10)7(3)4-5-11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-12-13(3)7(6)8(9,10)11;1-5(2)6-7(8(9,10)11)13-4-3-12-6;1-5(2)7-6(8(9,10)11)3-4-12-13-7;1-5(2)8-7(9)4-10-6(3)11-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-9-5-4-7(3)10-8;1-4(2)5-3-11-12-6(5)7(8,9)10;1-4-10-7(6(2)3)5-8-9-10;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3/h5-7H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-6H,1-3H3;6-8H,4-5H2,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3;4-5H,1-3H3;3*3-6H,1-2H3;2*5-6H,1-4H3;4*4-6H,1-3H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;3*4-6H,1-3H3
InChIKeyHRJBKEKYDKPVKA-UHFFFAOYSA-N
XLogP70.40
TPSA549.98 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds32
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004647.56
LogP ≤ 570.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Analyze 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine (CID 163625110) is 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn[nH]c1C(F)(F)F.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1C(F)(F)F.CC(C)c1ncc(Cl)cc1F.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1F.CC(C)c1nccnc1C(F)(F)F.CC(C)c1nnccc1C(F)(F)F.CCCn1cc(C(C)C)cn1.CCn1nncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)(C)C)c1.Cc1ccnc(C(C)C)c1Br.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)c1F.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.Cc1ncc(C(C)C)cn1.Cc1ncc(F)c(C(C)C)n1.Cc1nccc(C(C)C)n1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is HRJBKEKYDKPVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12BrN.2C9H10F3N.2C9H12FN.C9H16N2.2C9H13N.C8H9ClFN.C8H10ClN.2C8H11F3N2.2C8H9F3N2.C8H11FN2.3C8H10FN.2C8H14N2.4C8H12N2.C7H9F3N2.C7H13N3.3C7H12N2/c1-8-5-6-11-9(7-8)10(2,3)4;1-6(2)9-8(10)7(3)4-5-11-9;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-6(2)7-4-3-5-13-8(7)9(10,11)12;2*1-6(2)9-8(10)7(3)4-5-11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-5(2)6-4-12-13(3)7(6)8(9,10)11;1-5(2)6-7(8(9,10)11)13-4-3-12-6;1-5(2)7-6(8(9,10)11)3-4-12-13-7;1-5(2)8-7(9)4-10-6(3)11-8;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-4-5-9-7(3)10-8;2*1-6(2)8-9-5-4-7(3)10-8;1-4(2)5-3-11-12-6(5)7(8,9)10;1-4-10-7(6(2)3)5-8-9-10;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3/h5-7H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*4-6H,1-3H3;6-8H,4-5H2,1-3H3;2*4-7H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3;4-5H,1-3H3;3*3-6H,1-2H3;2*5-6H,1-4H3;4*4-6H,1-3H3;3-4H,1-2H3,(H,11,12);5-6H,4H2,1-3H3;3*4-6H,1-3H3.
What are the key properties of 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine?
3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4647.56 g/mol, XLogP of 70.40, 32 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-propan-2-ylpyridine;2-tert-butyl-4-methylpyridine;5-chloro-3-fluoro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-yltriazole;bis(3-fluoro-4-methyl-2-propan-2-ylpyridine);5-fluoro-2-methyl-4-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;2-methyl-5-propan-2-ylpyrimidine;bis(4-methyl-2-propan-2-ylpyrimidine);1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;4-propan-2-yl-1-propylpyrazole;2-propan-2-yl-3-(trifluoromethyl)pyrazine;4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole;3-propan-2-yl-4-(trifluoromethyl)pyridazine;2-propan-2-yl-3-(trifluoromethyl)pyridine;3-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 163625110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).