3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine

C115H112Br2Cl5F19N8O — CID 158904390

IUPAC3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1cccc(-c2c(F)cccc2Cl)c1F.CC(C)c1cccc(-c2ccccc2Cl)c1F.CC(C)c1cccc(-c2ncccc2Cl)c1F.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnn1.CC(C)c1cncc(OC(F)(F)F)c1F.Cc1ncc(C(C)C)nc1Br
InChIInChI=1S/2C15H11ClF4.C15H13ClF2.C15H14ClF.C14H13ClFN.C9H9F4NO.C9H10F3N.C8H11BrN2.C8H10BrN.C7H10N2/c2*1-7(2)9-3-4-11(18)14(15(9)20)13-10(16)5-8(17)6-12(13)19;1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17;1-10(2)11-7-5-8-13(15(11)17)12-6-3-4-9-14(12)16;1-9(2)10-5-3-6-11(13(10)16)14-12(15)7-4-8-17-14;1-5(2)6-3-14-4-7(8(6)10)15-9(11,12)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-3-5-8-9-7/h2*3-7H,1-2H3;3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyJFVYSHDYDGUWCE-UHFFFAOYSA-N
MW2320.25 g/mol
LogP40.42
Rot. Bonds16

About 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine

3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 158904390) has the molecular formula C115H112Br2Cl5F19N8O and a molecular weight of 2320.25 g/mol. Its IUPAC name is 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID158904390
Molecular FormulaC115H112Br2Cl5F19N8O
Molecular Weight2320.25 g/mol
Exact Mass2314.55
IUPAC Name3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1cccc(-c2c(F)cccc2Cl)c1F.CC(C)c1cccc(-c2ccccc2Cl)c1F.CC(C)c1cccc(-c2ncccc2Cl)c1F.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnn1.CC(C)c1cncc(OC(F)(F)F)c1F.Cc1ncc(C(C)C)nc1Br
InChIInChI=1S/2C15H11ClF4.C15H13ClF2.C15H14ClF.C14H13ClFN.C9H9F4NO.C9H10F3N.C8H11BrN2.C8H10BrN.C7H10N2/c2*1-7(2)9-3-4-11(18)14(15(9)20)13-10(16)5-8(17)6-12(13)19;1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17;1-10(2)11-7-5-8-13(15(11)17)12-6-3-4-9-14(12)16;1-9(2)10-5-3-6-11(13(10)16)14-12(15)7-4-8-17-14;1-5(2)6-3-14-4-7(8(6)10)15-9(11,12)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-3-5-8-9-7/h2*3-7H,1-2H3;3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-6H,1-2H3
InChIKeyJFVYSHDYDGUWCE-UHFFFAOYSA-N
XLogP40.42
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002320.25
LogP ≤ 540.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 158904390) is 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1ccc(F)c(-c2c(F)cc(F)cc2Cl)c1F.CC(C)c1cccc(-c2c(F)cccc2Cl)c1F.CC(C)c1cccc(-c2ccccc2Cl)c1F.CC(C)c1cccc(-c2ncccc2Cl)c1F.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccnn1.CC(C)c1cncc(OC(F)(F)F)c1F.Cc1ncc(C(C)C)nc1Br.
What is the InChIKey of 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is JFVYSHDYDGUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11ClF4.C15H13ClF2.C15H14ClF.C14H13ClFN.C9H9F4NO.C9H10F3N.C8H11BrN2.C8H10BrN.C7H10N2/c2*1-7(2)9-3-4-11(18)14(15(9)20)13-10(16)5-8(17)6-12(13)19;1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17;1-10(2)11-7-5-8-13(15(11)17)12-6-3-4-9-14(12)16;1-9(2)10-5-3-6-11(13(10)16)14-12(15)7-4-8-17-14;1-5(2)6-3-14-4-7(8(6)10)15-9(11,12)13;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-5(2)7-4-10-6(3)8(9)11-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-3-5-8-9-7/h2*3-7H,1-2H3;3-9H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 2320.25 g/mol, XLogP of 40.42, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5-propan-2-ylpyrazine;2-bromo-6-propan-2-ylpyridine;bis(1-chloro-2-(2,6-difluoro-3-propan-2-ylphenyl)-3,5-difluorobenzene);1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene;3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)pyridine;1-(2-chlorophenyl)-2-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-yl-5-(trifluoromethoxy)pyridine;3-propan-2-ylpyridazine;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 158904390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).