4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane

C47H51Br2F3N2O4 — CID 157104791

IUPAC4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane
SMILESC.COc1ccc(F)c(-c2ccc(CO)cc2C(C)(C)C)c1.COc1ccc(F)c(-c2ccc(COc3cc(Br)ccn3)cc2C(C)(C)C)c1.Fc1cc(Br)ccn1
InChIInChI=1S/C23H23BrFNO2.C18H21FO2.C5H3BrFN.CH4/c1-23(2,3)20-11-15(14-28-22-12-16(24)9-10-26-22)5-7-18(20)19-13-17(27-4)6-8-21(19)25;1-18(2,3)16-9-12(11-20)5-7-14(16)15-10-13(21-4)6-8-17(15)19;6-4-1-2-8-5(7)3-4;/h5-13H,14H2,1-4H3;5-10,20H,11H2,1-4H3;1-3H;1H4
InChIKeyAGEGZXMPFKECEA-UHFFFAOYSA-N
MW924.74 g/mol
LogP13.45
Rot. Bonds8

About 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane

4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane (PubChem CID 157104791) has the molecular formula C47H51Br2F3N2O4 and a molecular weight of 924.74 g/mol. Its IUPAC name is 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane.

Molecular Properties

Compound Name4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane
PubChem CID157104791
Molecular FormulaC47H51Br2F3N2O4
Molecular Weight924.74 g/mol
Exact Mass922.22
IUPAC Name4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane
SMILESC.COc1ccc(F)c(-c2ccc(CO)cc2C(C)(C)C)c1.COc1ccc(F)c(-c2ccc(COc3cc(Br)ccn3)cc2C(C)(C)C)c1.Fc1cc(Br)ccn1
InChIInChI=1S/C23H23BrFNO2.C18H21FO2.C5H3BrFN.CH4/c1-23(2,3)20-11-15(14-28-22-12-16(24)9-10-26-22)5-7-18(20)19-13-17(27-4)6-8-21(19)25;1-18(2,3)16-9-12(11-20)5-7-14(16)15-10-13(21-4)6-8-17(15)19;6-4-1-2-8-5(7)3-4;/h5-13H,14H2,1-4H3;5-10,20H,11H2,1-4H3;1-3H;1H4
InChIKeyAGEGZXMPFKECEA-UHFFFAOYSA-N
XLogP13.45
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.74
LogP ≤ 513.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;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

2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2,3-Difluoro-6-(6-hexoxy-3-pyridinyl)naphthalen-1-ol
CID 18381119
2,3,5-Trifluoro-6-(6-hexyloxypyridin-3-yl)naphthalen-1-ol
CID 18381129
9-Fluoro-7-(6-hexyloxypyrid-3-yl)-2-octyloxyphenanthrene
CID 22112572
2-[3-[3-Benzyl-2-fluoro-4-(3-pyridin-3-yloxyphenyl)phenyl]phenoxy]pyridine
CID 54278905
4-Bromo-2-(((2-(5,5-dimethyl-1-cyclopenten-1-yl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methyl)oxy)pyridine
CID 57705828
4-Bromo-2-(((2-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl-4-yl)methyl)oxy)pyridine
CID 57706640
5-[3-[4-(4-Butoxyphenyl)cyclohexyl]-4-(6-fluoro-3-pyridinyl)-2-[4-(4-pentoxyphenyl)cyclohexyl]butan-2-yl]-2-fluoropyridine
CID 67924046
[2-[1-[(4-Pyridin-2-yloxyphenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)phenyl]methanol
CID 69577994
2-[4-[[5-[2-[2-[4-[(3-Bromo-2-pyridinyl)oxy]phenyl]-2,2-difluoroethoxy]ethyl]-3-methyl-2-pyridinyl]oxy]phenyl]-2,2-difluoroethanol
CID 135246625
2-[[3-(5,5-Dimethylcyclopenten-1-yl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-4-methylpyridine
CID 143788812

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane?
The IUPAC name of 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane (CID 157104791) is 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane.
What is the SMILES notation for 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane?
The canonical SMILES for 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane is C.COc1ccc(F)c(-c2ccc(CO)cc2C(C)(C)C)c1.COc1ccc(F)c(-c2ccc(COc3cc(Br)ccn3)cc2C(C)(C)C)c1.Fc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane?
The InChIKey is AGEGZXMPFKECEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFNO2.C18H21FO2.C5H3BrFN.CH4/c1-23(2,3)20-11-15(14-28-22-12-16(24)9-10-26-22)5-7-18(20)19-13-17(27-4)6-8-21(19)25;1-18(2,3)16-9-12(11-20)5-7-14(16)15-10-13(21-4)6-8-17(15)19;6-4-1-2-8-5(7)3-4;/h5-13H,14H2,1-4H3;5-10,20H,11H2,1-4H3;1-3H;1H4.
What are the key properties of 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane?
4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane has a molecular weight of 924.74 g/mol, XLogP of 13.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]pyridine;4-bromo-2-fluoropyridine;[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol;methane is sourced from PubChem (CID 157104791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).