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

C42H33Br3F12N6O3 — CID 162042412

IUPAC(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/3C14H11BrF4N2O/c3*15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h3*1-6,22H,7,20H2/t2*13-;/m10./s1
InChIKeyYXLLDVYQEQJGMX-HAEKBSCCSA-N
MW1137.45 g/mol
LogP9.18
Rot. Bonds12

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

(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (PubChem CID 162042412) has the molecular formula C42H33Br3F12N6O3 and a molecular weight of 1137.45 g/mol. Its IUPAC name is (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
PubChem CID162042412
Molecular FormulaC42H33Br3F12N6O3
Molecular Weight1137.45 g/mol
Exact Mass1134.00
IUPAC Name(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/3C14H11BrF4N2O/c3*15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h3*1-6,22H,7,20H2/t2*13-;/m10./s1
InChIKeyYXLLDVYQEQJGMX-HAEKBSCCSA-N
XLogP9.18
TPSA177.42 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.45
LogP ≤ 59.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

1,1-Bis(2-fluoro-3-pyridinyl)-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 137647028
(R)-3-Amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
1-(5-Bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropent-4-en-2-ol
CID 89330186
3-Amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118384255
(2S)-3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395268
N-amino-N'-[(2S)-3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]methanimidamide
CID 118395275
N'-[(2R)-3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]-N-(methylideneamino)methanimidamide
CID 118397056
N-(aminomethylidene)-N'-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-(4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]methanimidamide
CID 123713777
3-Amino-1-(5-bromopyridin-2-yl)-2-(2,5-difluorophenyl)-1,1-difluoropropan-2-ol
CID 137407408
1-(5-Bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropentan-2-ol
CID 137426930
N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-(5-pyridin-4-yl-2-pyridinyl)propyl]methanimidamide
CID 137427024
(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,2-trifluoroethyl)phenyl]-2-pyridinyl]propan-2-ol
CID 139435703

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (CID 162042412) is (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is NCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is YXLLDVYQEQJGMX-HAEKBSCCSA-N. The full InChI is InChI=1S/3C14H11BrF4N2O/c3*15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h3*1-6,22H,7,20H2/t2*13-;/m10./s1.
What are the key properties of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol has a molecular weight of 1137.45 g/mol, XLogP of 9.18, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 162042412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).