5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine

C21H18BrF2NO — CID 66666506

IUPAC5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine
SMILESCOc1ccc(CCC(c2ccc(Br)cc2)c2ccc(F)cc2F)cn1
InChIInChI=1S/C21H18BrF2NO/c1-26-21-11-3-14(13-25-21)2-9-18(15-4-6-16(22)7-5-15)19-10-8-17(23)12-20(19)24/h3-8,10-13,18H,2,9H2,1H3
InChIKeyYODKJYPAENRGJA-UHFFFAOYSA-N
MW418.28 g/mol
LogP5.90
Rot. Bonds6

About 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine

5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine (PubChem CID 66666506) has the molecular formula C21H18BrF2NO and a molecular weight of 418.28 g/mol. Its IUPAC name is 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine
PubChem CID66666506
Molecular FormulaC21H18BrF2NO
Molecular Weight418.28 g/mol
Exact Mass417.05
IUPAC Name5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine
SMILESCOc1ccc(CCC(c2ccc(Br)cc2)c2ccc(F)cc2F)cn1
InChIInChI=1S/C21H18BrF2NO/c1-26-21-11-3-14(13-25-21)2-9-18(15-4-6-16(22)7-5-15)19-10-8-17(23)12-20(19)24/h3-8,10-13,18H,2,9H2,1H3
InChIKeyYODKJYPAENRGJA-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.28
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-3-(2-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 66666257
(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide
CID 124560664
[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250426
5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
CID 175294527
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
1-[1-chloro-3-(4-methoxyphenyl)propyl]-2,4-difluorobenzene
CID 63433827
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
5-bromo-2-methoxypyridine
CID 2734895
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
1-[2-bromo-2-(4-bromo-2-methoxyphenyl)ethyl]-2,4-difluorobenzene
CID 115370122
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 105395281

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine?
The IUPAC name of 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine (CID 66666506) is 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine is COc1ccc(CCC(c2ccc(Br)cc2)c2ccc(F)cc2F)cn1.
What is the InChIKey of 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine?
The InChIKey is YODKJYPAENRGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF2NO/c1-26-21-11-3-14(13-25-21)2-9-18(15-4-6-16(22)7-5-15)19-10-8-17(23)12-20(19)24/h3-8,10-13,18H,2,9H2,1H3.
What are the key properties of 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine?
5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine has a molecular weight of 418.28 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine is sourced from PubChem (CID 66666506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).