3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine

C122H138BrF12N7O — CID 158743644

IUPAC3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine
SMILESCC(C)c1cccnn1.COc1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1cccnc1-c1cccc(C(C)C)c1F.Cc1ncc(C(C)C)nc1Br
InChIInChI=1S/C16H14F4.C16H15F3.C16H16F2.C16H17F.C15H16FN.C10H13FO.2C9H13N.C8H11BrN2.C7H10N2/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-7(2)8-5-4-6-9(12-3)10(8)11;2*1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8-9-7/h4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyIMPPHKYOGRIQRM-UHFFFAOYSA-N
MW2026.37 g/mol
LogP37.11
Rot. Bonds16

About 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine

3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine (PubChem CID 158743644) has the molecular formula C122H138BrF12N7O and a molecular weight of 2026.37 g/mol. Its IUPAC name is 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine
PubChem CID158743644
Molecular FormulaC122H138BrF12N7O
Molecular Weight2026.37 g/mol
Exact Mass2024.00
IUPAC Name3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine
SMILESCC(C)c1cccnn1.COc1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1cccnc1-c1cccc(C(C)C)c1F.Cc1ncc(C(C)C)nc1Br
InChIInChI=1S/C16H14F4.C16H15F3.C16H16F2.C16H17F.C15H16FN.C10H13FO.2C9H13N.C8H11BrN2.C7H10N2/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-7(2)8-5-4-6-9(12-3)10(8)11;2*1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8-9-7/h4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3-6H,1-2H3
InChIKeyIMPPHKYOGRIQRM-UHFFFAOYSA-N
XLogP37.11
TPSA99.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002026.37
LogP ≤ 537.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-(2-chlorophenyl)pyridine;2-tert-butyl-6-(2,4-difluoro-6-methylphenyl)pyridine;3-tert-butyl-1,1-dimethylcyclohexane;1-tert-butyl-2-fluoro-3-(4-fluoro-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(3-methylphenyl)benzene;1-(3-tert-butyl-2-fluorophenyl)-4,5-difluoro-2-methylbenzene;2-tert-butyl-6-(1H-pyrazol-4-yl)pyridine;1-chloro-3,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1,5-difluoro-3-methyl-2-(3-propan-2-ylphenyl)benzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;3-fluoro-2,4,4-trimethylpent-2-ene;methane;3-propan-2-ylpyridazine
CID 159941476
3-bromo-2-methyl-5-propan-2-ylpyrazine;2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;2-tert-butyl-3-fluoro-6-methylpyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-fluoro-1-methoxy-3-propan-2-ylbenzene;bis(2-methyl-6-propan-2-ylpyridine)
CID 161123219
2-tert-butyl-6-cyclopropylpyridine;1-tert-butyl-2-fluoro-3-methylbenzene;2-tert-butyl-3-fluoro-6-methylpyridine;tris(2-tert-butyl-6-methylpyridine);3-tert-butyl-5-methylpyridine;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyrazine;bis(2-methyl-6-propan-2-ylpyridine)
CID 157454485
3-bromo-5-tert-butylpyridine;3-bromo-2-methyl-5-propan-2-ylpyrazine;1-tert-butyl-3-chloro-2-fluorobenzene;3-tert-butyl-5-chloropyridine;2-tert-butyl-6-cyclopropylpyridine;2-tert-butyl-3-fluoro-6-methylpyridine;2-tert-butyl-6-fluoropyridine;5-tert-butylpyridine-3-carbonitrile;2-fluoro-1-methoxy-3-propan-2-ylbenzene;methane;2-methyl-6-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 160588671
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124
1-fluoro-4-methoxy-2-propan-2-ylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene
CID 176686118
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
[(5-fluoro-2-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219168
8-[3-(2,4-difluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 90138467
methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-nitro-4-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;2-methylsulfanyl-6-propan-2-ylpyridine
CID 159756283

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine?
The IUPAC name of 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine (CID 158743644) is 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine.
What is the SMILES notation for 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine?
The canonical SMILES for 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine is CC(C)c1cccnn1.COc1cccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1c(F)ccc(C(C)C)c1F.Cc1cc(F)cc(F)c1-c1cccc(C(C)C)c1F.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1cccc(F)c1-c1cccc(C(C)C)c1F.Cc1ccccc1-c1cccc(C(C)C)c1F.Cc1cccnc1-c1cccc(C(C)C)c1F.Cc1ncc(C(C)C)nc1Br.
What is the InChIKey of 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine?
The InChIKey is IMPPHKYOGRIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4.C16H15F3.C16H16F2.C16H17F.C15H16FN.C10H13FO.2C9H13N.C8H11BrN2.C7H10N2/c1-8(2)11-4-5-12(18)15(16(11)20)14-9(3)6-10(17)7-13(14)19;1-9(2)12-5-4-6-13(16(12)19)15-10(3)7-11(17)8-14(15)18;1-10(2)12-7-5-8-13(16(12)18)15-11(3)6-4-9-14(15)17;1-11(2)13-9-6-10-15(16(13)17)14-8-5-4-7-12(14)3;1-10(2)12-7-4-8-13(14(12)16)15-11(3)6-5-9-17-15;1-7(2)8-5-4-6-9(12-3)10(8)11;2*1-7(2)9-6-4-5-8(3)10-9;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8-9-7/h4-8H,1-3H3;4-9H,1-3H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3;3-6H,1-2H3.
What are the key properties of 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine?
3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine has a molecular weight of 2026.37 g/mol, XLogP of 37.11, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5-propan-2-ylpyrazine;1,5-difluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-(2,4-difluoro-6-methylphenyl)-1,3-difluoro-4-propan-2-ylbenzene;1-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)-3-methylbenzene;2-fluoro-1-methoxy-3-propan-2-ylbenzene;2-fluoro-1-(2-methylphenyl)-3-propan-2-ylbenzene;2-(2-fluoro-3-propan-2-ylphenyl)-3-methylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-propan-2-ylpyridazine is sourced from PubChem (CID 158743644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).