2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine

C56H53Br2Cl2F13N12 — CID 158133735

IUPAC2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ccccc1C(F)(F)F.Cc1ncccc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1C(F)F.Cc1ncccc1Cl.Cc1nccnc1Br.Cc1nccnc1C(F)(F)F.Cc1nccnc1C(F)F.Cc1nccnc1Cl
InChIInChI=1S/C8H7F3.C7H6F3N.C7H7F2N.C6H6BrN.C6H6ClN.C6H5F3N2.C6H6F2N2.C5H5BrN2.C5H5ClN2/c1-6-4-2-3-5-7(6)8(9,10)11;1-5-6(7(8,9)10)3-2-4-11-5;1-5-6(7(8)9)3-2-4-10-5;2*1-5-6(7)3-2-4-8-5;1-4-5(6(7,8)9)11-3-2-10-4;1-4-5(6(7)8)10-3-2-9-4;2*1-4-5(6)8-3-2-7-4/h2-5H,1H3;2-4H,1H3;2-4,7H,1H3;2*2-4H,1H3;2-3H,1H3;2-3,6H,1H3;2*2-3H,1H3
InChIKeyFTBZJXLXXDVCFR-UHFFFAOYSA-N
MW1371.81 g/mol
LogP18.46
Rot. Bonds2

About 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine

2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 158133735) has the molecular formula C56H53Br2Cl2F13N12 and a molecular weight of 1371.81 g/mol. Its IUPAC name is 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine
PubChem CID158133735
Molecular FormulaC56H53Br2Cl2F13N12
Molecular Weight1371.81 g/mol
Exact Mass1368.21
IUPAC Name2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine
SMILESCc1ccccc1C(F)(F)F.Cc1ncccc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1C(F)F.Cc1ncccc1Cl.Cc1nccnc1Br.Cc1nccnc1C(F)(F)F.Cc1nccnc1C(F)F.Cc1nccnc1Cl
InChIInChI=1S/C8H7F3.C7H6F3N.C7H7F2N.C6H6BrN.C6H6ClN.C6H5F3N2.C6H6F2N2.C5H5BrN2.C5H5ClN2/c1-6-4-2-3-5-7(6)8(9,10)11;1-5-6(7(8,9)10)3-2-4-11-5;1-5-6(7(8)9)3-2-4-10-5;2*1-5-6(7)3-2-4-8-5;1-4-5(6(7,8)9)11-3-2-10-4;1-4-5(6(7)8)10-3-2-9-4;2*1-4-5(6)8-3-2-7-4/h2-5H,1H3;2-4H,1H3;2-4,7H,1H3;2*2-4H,1H3;2-3H,1H3;2-3,6H,1H3;2*2-3H,1H3
InChIKeyFTBZJXLXXDVCFR-UHFFFAOYSA-N
XLogP18.46
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.81
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine with MolForge

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Related Compounds

3-Chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-6-methylpyridine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine
CID 157084971
6-Chloro-3-methyl-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157161529
2-Bromo-5-propan-2-ylpyrazine;2-tert-butyl-5-ethylpyrazine;2-tert-butyl-5-(2-methylphenyl)pyrazine;2-tert-butyl-5-propan-2-ylpyrazine;2-tert-butyl-5-(trifluoromethyl)pyrazine;2-chloro-3-propan-2-ylpyrazine;2-chloro-5-propan-2-ylpyrazine;2-chloro-6-propan-2-ylpyrazine;3,5-dichloro-2-propan-2-ylpyrazine;2-ethyl-5-propan-2-ylpyrazine;2-isocyano-3-propan-2-ylpyrazine;2-propan-2-ylpyrazine;5-propan-2-ylpyrazine-2-carbonitrile
CID 157501248
4-Chloro-3-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;5-chloro-4-methyl-2-propan-2-ylpyridine;6-chloro-3-methyl-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;3,5-dimethyl-2-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157623245
2-Chloro-3,5-dimethyl-6-propan-2-ylpyridine;3-chloro-2,5-dimethyl-6-propan-2-ylpyridine;3-chloro-4,5-dimethyl-2-propan-2-ylpyridine;3-chloro-4,6-dimethyl-2-propan-2-ylpyridine;5-chloro-2,3-dimethyl-6-propan-2-ylpyridine;4-chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;5-methyl-2,4-di(propan-2-yl)pyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;3-methyl-2-propan-2-yl-6-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 157990306
4-Chloro-2-propan-2-yl-6-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-4-(trifluoromethyl)pyridine;3,4-dimethyl-2-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-(trifluoromethyl)pyridine;4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158107823
Bis(3-chloro-5-methyl-2-propan-2-ylpyridine);bis(2,3-dimethyl-6-propan-2-ylpyridine);3-fluoro-5-methyl-2-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;tetrakis(5-methyl-2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158137590
2-Chloro-4,5-dimethylpyridine;3-chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;3-methylpyridine
CID 158287825
2-Bromo-6-tert-butylpyridine;4-bromo-2-tert-butylpyridine;2-tert-butyl-4-chloropyridine;2-tert-butyl-6-chloropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine
CID 158443990
CID 158507439
CID 158507439
3-Tert-butyl-2-chloro-5-methylpyridine;3-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-4-chloro-5-methylpyridine;bis(3-tert-butyl-5-chloro-2-methylpyridine);bis(3-tert-butyl-5-chloro-4-methylpyridine);5-tert-butyl-2-chloro-3-methylpyridine;bis(5-tert-butyl-2-chloro-4-methylpyridine);5-tert-butyl-3-chloro-2-methylpyridine;5-tert-butyl-4-chloro-2-methylpyridine;3-tert-butyl-2-chloro-5-(trifluoromethyl)pyridine;3-tert-butyl-4-chloro-2-(trifluoromethyl)pyridine;3-tert-butyl-4-chloro-5-(trifluoromethyl)pyridine;5-tert-butyl-2-chloro-3-(trifluoromethyl)pyridine;5-tert-butyl-3-chloro-2-(trifluoromethyl)pyridine;5-tert-butyl-4-chloro-2-(trifluoromethyl)pyridine;3-tert-butyl-2,5-dimethylpyridine;3-tert-butyl-4,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;3-tert-butyl-4-methyl-5-(trifluoromethyl)pyridine;5-tert-butyl-4-methyl-2-(trifluoromethyl)pyridine
CID 158649562
3-Chloro-2-methyl-5-(trifluoromethyl)pyridine;2,3-dichloro-5-methylpyridine;2,3-dichloro-6-methylpyridine;2,4-dimethylpyridine;bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;2-methylpyridine;3-methylpyridine
CID 158714829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine (CID 158133735) is 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine is Cc1ccccc1C(F)(F)F.Cc1ncccc1Br.Cc1ncccc1C(F)(F)F.Cc1ncccc1C(F)F.Cc1ncccc1Cl.Cc1nccnc1Br.Cc1nccnc1C(F)(F)F.Cc1nccnc1C(F)F.Cc1nccnc1Cl.
What is the InChIKey of 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is FTBZJXLXXDVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C7H6F3N.C7H7F2N.C6H6BrN.C6H6ClN.C6H5F3N2.C6H6F2N2.C5H5BrN2.C5H5ClN2/c1-6-4-2-3-5-7(6)8(9,10)11;1-5-6(7(8,9)10)3-2-4-11-5;1-5-6(7(8)9)3-2-4-10-5;2*1-5-6(7)3-2-4-8-5;1-4-5(6(7,8)9)11-3-2-10-4;1-4-5(6(7)8)10-3-2-9-4;2*1-4-5(6)8-3-2-7-4/h2-5H,1H3;2-4H,1H3;2-4,7H,1H3;2*2-4H,1H3;2-3H,1H3;2-3,6H,1H3;2*2-3H,1H3.
What are the key properties of 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine?
2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 1371.81 g/mol, XLogP of 18.46, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylpyrazine;3-bromo-2-methylpyridine;2-chloro-3-methylpyrazine;3-chloro-2-methylpyridine;2-(difluoromethyl)-3-methylpyrazine;3-(difluoromethyl)-2-methylpyridine;1-methyl-2-(trifluoromethyl)benzene;2-methyl-3-(trifluoromethyl)pyrazine;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158133735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).