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

C14H11BrF4N2O — CID 118395266

IUPAC(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESNC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2O/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h1-6,22H,7,20H2/t13-/m0/s1
InChIKeyLLNZFMVHVFMLMV-ZDUSSCGKSA-N
MW379.15 g/mol
LogP3.06
Rot. Bonds4

About (2R)-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 (PubChem CID 118395266) has the molecular formula C14H11BrF4N2O and a molecular weight of 379.15 g/mol. Its IUPAC name is (2R)-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
PubChem CID118395266
Molecular FormulaC14H11BrF4N2O
Molecular Weight379.15 g/mol
Exact Mass378.00
IUPAC Name(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESNC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2O/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h1-6,22H,7,20H2/t13-/m0/s1
InChIKeyLLNZFMVHVFMLMV-ZDUSSCGKSA-N
XLogP3.06
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-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

(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;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 162192469
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-4-yl)propan-2-ol;methane;hydrofluoride
CID 158635211
3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;5-bromo-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]pyridine
CID 158245659
(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;(2S)-3-amino-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]-2-phenylpropan-2-ol;(2R)-3-amino-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]-2-phenylpropan-2-ol
CID 157179865
3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
CID 118397062
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 163718588
N,N'-diamino-N-[3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]methanimidamide
CID 137426978
(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3-(2,3-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
CID 126716684
(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 126705297
[3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]-[(iminohydrazinylidene)methyl]azanium
CID 147944349
N'-[3-[5-[difluoro-(4-fluorophenyl)methyl]-2-pyridinyl]-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]methanimidamide
CID 137427005

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?
The IUPAC name of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (CID 118395266) is (2R)-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?
The canonical SMILES for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is 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?
The InChIKey is LLNZFMVHVFMLMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11BrF4N2O/c15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17/h1-6,22H,7,20H2/t13-/m0/s1.
What are the key properties of (2R)-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 has a molecular weight of 379.15 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 118395266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).