3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane

C16H17BrF4N2O — CID 144927494

IUPAC3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane
SMILESCC.NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2O.C2H6/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17;1-2/h1-6,22H,7,20H2;1-2H3
InChIKeyZJUOJNIATJOWLH-UHFFFAOYSA-N
MW409.22 g/mol
LogP4.09
Rot. Bonds4

About 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane

3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane (PubChem CID 144927494) has the molecular formula C16H17BrF4N2O and a molecular weight of 409.22 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane
PubChem CID144927494
Molecular FormulaC16H17BrF4N2O
Molecular Weight409.22 g/mol
Exact Mass408.05
IUPAC Name3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane
SMILESCC.NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2O.C2H6/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17;1-2/h1-6,22H,7,20H2;1-2H3
InChIKeyZJUOJNIATJOWLH-UHFFFAOYSA-N
XLogP4.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane with MolForge

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Related Compounds

alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-(4-(Ethyl(pyridin-2-ylmethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11632271
1-(4-Bromophenyl)-3-(dimethylamino)-1-(pyridin-3-yl)propan-1-ol
CID 12914022
2-[4-[Butyl(pyridine-2-ylmethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 16049407
(4-Bromophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672639
5-Bromo-2-((2-(2,4-difluorophenyl)oxiran-2-yl)difluoromethyl)pyridine
CID 10666332
N,N-Diethyl-4-hydroxy-N-methyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromide
CID 16427
4-Hydroxy-N,N,N-trimethyl-4-phenyl-4-(pyridin-2-yl)but-2-yn-1-aminium bromide
CID 16429
1-(2-Bromopyridin-3-yl)cyclohexan-1-ol
CID 86276539
1,2-Diphenyl-1-(pyridin-2-yl)pentan-2-ol
CID 236209
2-(4-Bromophenyl)-1-(pyridin-4-ylmethylamino)butan-2-ol
CID 71969661
(R)-(4-fluorophenyl)-piperidin-4-yl-pyridin-2-ylmethanol
CID 122180079

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane?
The IUPAC name of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane (CID 144927494) is 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane.
What is the SMILES notation for 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane?
The canonical SMILES for 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane is CC.NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane?
The InChIKey is ZJUOJNIATJOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2O.C2H6/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17;1-2/h1-6,22H,7,20H2;1-2H3.
What are the key properties of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane?
3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane has a molecular weight of 409.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;ethane is sourced from PubChem (CID 144927494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).