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

C51H41BBr3F14N11O5 — CID 161431471

IUPAC2-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
SMILESCC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.CCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.Fc1ccc(Br)nc1.O=Cc1cc(Br)ncc1F.OCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.OCc1cc(Br)ncc1F
InChIInChI=1S/C12H9F4N3.C11H14BF3N2O2.C11H7F4N3O.C6H5BrFNO.C6H3BrFNO.C5H3BrFN/c1-2-7-3-10(17-6-9(7)13)8-4-18-11(19-5-8)12(14,15)16;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-8-4-16-9(1-6(8)5-19)7-2-17-10(18-3-7)11(13,14)15;2*7-6-1-4(3-10)5(8)2-9-6;6-5-2-1-4(7)3-8-5/h3-6H,2H2,1H3;5-6H,1-4H3;1-4,19H,5H2;1-2,10H,3H2;1-3H;1-3H
InChIKeyVYBLXKSMFYVODA-UHFFFAOYSA-N
MW1404.46 g/mol
LogP12.50
Rot. Bonds7

About 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

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 (PubChem CID 161431471) has the molecular formula C51H41BBr3F14N11O5 and a molecular weight of 1404.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161431471
Molecular FormulaC51H41BBr3F14N11O5
Molecular Weight1404.46 g/mol
Exact Mass1401.07
IUPAC Name2-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
SMILESCC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.CCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.Fc1ccc(Br)nc1.O=Cc1cc(Br)ncc1F.OCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.OCc1cc(Br)ncc1F
InChIInChI=1S/C12H9F4N3.C11H14BF3N2O2.C11H7F4N3O.C6H5BrFNO.C6H3BrFNO.C5H3BrFN/c1-2-7-3-10(17-6-9(7)13)8-4-18-11(19-5-8)12(14,15)16;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-8-4-16-9(1-6(8)5-19)7-2-17-10(18-3-7)11(13,14)15;2*7-6-1-4(3-10)5(8)2-9-6;6-5-2-1-4(7)3-8-5/h3-6H,2H2,1H3;5-6H,1-4H3;1-4,19H,5H2;1-2,10H,3H2;1-3H;1-3H
InChIKeyVYBLXKSMFYVODA-UHFFFAOYSA-N
XLogP12.50
TPSA217.78 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001404.46
LogP ≤ 512.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 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

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
CID 159297495
CID 159297495
2-bromo-4-(chloromethyl)-5-fluoropyridine;2-bromo-5-fluoropyridine;2-bromo-5-fluoropyridine-4-carbaldehyde;(2-bromo-5-fluoro-4-pyridinyl)methanol;tert-butyl N-[(2-bromo-5-fluoro-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 160757612
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
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);methane;1-(2-piperidin-1-ylpyrimidin-5-yl)ethanone
CID 160824874
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);methane;1-(2-piperidin-1-ylpyrimidin-5-yl)ethanone
CID 161727665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.CCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.Fc1ccc(Br)nc1.O=Cc1cc(Br)ncc1F.OCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1F.OCc1cc(Br)ncc1F.
What is the InChIKey of 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?
The InChIKey is VYBLXKSMFYVODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3.C11H14BF3N2O2.C11H7F4N3O.C6H5BrFNO.C6H3BrFNO.C5H3BrFN/c1-2-7-3-10(17-6-9(7)13)8-4-18-11(19-5-8)12(14,15)16;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;12-8-4-16-9(1-6(8)5-19)7-2-17-10(18-3-7)11(13,14)15;2*7-6-1-4(3-10)5(8)2-9-6;6-5-2-1-4(7)3-8-5/h3-6H,2H2,1H3;5-6H,1-4H3;1-4,19H,5H2;1-2,10H,3H2;1-3H;1-3H.
What are the key properties of 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?
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 has a molecular weight of 1404.46 g/mol, XLogP of 12.50, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161431471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).