2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane

C36H27Br3F8N6O2 — CID 158732958

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane
SMILESBrc1cncnc1.C.C.O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(c1cncnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C17H10BrF4N3O.C13H6BrF4NO.C4H3BrN2.2CH4/c18-11-1-4-15(25-8-11)17(21,22)16(26,10-6-23-9-24-7-10)13-3-2-12(19)5-14(13)20;14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;5-4-1-6-3-7-2-4;;/h1-9,26H;1-6H;1-3H;2*1H4
InChIKeyILICFGUYYUFHGT-UHFFFAOYSA-N
MW967.35 g/mol
LogP10.55
Rot. Bonds7

About 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane (PubChem CID 158732958) has the molecular formula C36H27Br3F8N6O2 and a molecular weight of 967.35 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane
PubChem CID158732958
Molecular FormulaC36H27Br3F8N6O2
Molecular Weight967.35 g/mol
Exact Mass963.96
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane
SMILESBrc1cncnc1.C.C.O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(c1cncnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C17H10BrF4N3O.C13H6BrF4NO.C4H3BrN2.2CH4/c18-11-1-4-15(25-8-11)17(21,22)16(26,10-6-23-9-24-7-10)13-3-2-12(19)5-14(13)20;14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;5-4-1-6-3-7-2-4;;/h1-9,26H;1-6H;1-3H;2*1H4
InChIKeyILICFGUYYUFHGT-UHFFFAOYSA-N
XLogP10.55
TPSA114.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.35
LogP ≤ 510.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-(6-Amino-3-pyridinyl)-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 68049095
5-Bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride
CID 157349598
2-Bromoacetonitrile;2-(5-bromo-2-pyridinyl)-2,2-difluoro-1-(2-fluorophenyl)ethanone;1-(5-bromo-2-pyridinyl)-1,1-difluoro-2-(2-fluorophenyl)-3-isocyanopropan-2-ol
CID 157781593
5-Bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride
CID 158375497
CID 160144020
CID 160144020
1-(5-Bromo-2-pyridinyl)-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol;1-[5-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol;2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160169660
5-Bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2,5-dibromopyridine;ethoxyethane;methane;hydrofluoride
CID 160387128
2-(5-Bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine
CID 161155453
2-Bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;5-(4-ethyl-5-fluoro-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 161431471
4-Tert-butyl-2-(2,4-dimethylpentan-3-yl)pyridine;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;2-(2,4-dimethylpentan-3-yl)-4-methylpyridine;tris(2-(2,4-dimethylpentan-3-yl)pyridine);5-(2,4-dimethylpentan-3-yl)pyrimidine;2-(2,4-dimethylpentan-3-yl)-6-(trifluoromethyl)pyridine;2,4-dimethyl-3-propan-2-ylpentane
CID 167610408
(4-Bromo-2-fluorophenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanol;(4-bromo-2-fluorophenyl)-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 68799245
lithium;2-bromo-5-fluoropyridine;butane;(1R)-1-(5-fluoro-2-pyridinyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanol;(1S)-1-(5-fluoro-2-pyridinyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanol;bis(1-(5-fluoro-2-pyridinyl)-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanol);1-(2-piperidin-1-ylpyrimidin-5-yl)ethanone
CID 157705398

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane (CID 158732958) is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane is Brc1cncnc1.C.C.O=C(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.OC(c1cncnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane?
The InChIKey is ILICFGUYYUFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF4N3O.C13H6BrF4NO.C4H3BrN2.2CH4/c18-11-1-4-15(25-8-11)17(21,22)16(26,10-6-23-9-24-7-10)13-3-2-12(19)5-14(13)20;14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;5-4-1-6-3-7-2-4;;/h1-9,26H;1-6H;1-3H;2*1H4.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane?
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane has a molecular weight of 967.35 g/mol, XLogP of 10.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone;2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoro-1-pyrimidin-5-ylethanol;5-bromopyrimidine;methane is sourced from PubChem (CID 158732958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).