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

C15H13BrF4N2O — CID 163718588

IUPAC(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESCc1cc(Br)cnc1C(F)(F)[C@](O)(CN)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF4N2O/c1-8-4-9(16)6-22-13(8)15(19,20)14(23,7-21)11-3-2-10(17)5-12(11)18/h2-6,23H,7,21H2,1H3/t14-/m0/s1
InChIKeyKPMVNBZVVPQSFT-AWEZNQCLSA-N
MW393.18 g/mol
LogP3.37
Rot. Bonds4

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

(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (PubChem CID 163718588) has the molecular formula C15H13BrF4N2O and a molecular weight of 393.18 g/mol. Its IUPAC name is (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
PubChem CID163718588
Molecular FormulaC15H13BrF4N2O
Molecular Weight393.18 g/mol
Exact Mass392.01
IUPAC Name(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
SMILESCc1cc(Br)cnc1C(F)(F)[C@](O)(CN)c1ccc(F)cc1F
InChIInChI=1S/C15H13BrF4N2O/c1-8-4-9(16)6-22-13(8)15(19,20)14(23,7-21)11-3-2-10(17)5-12(11)18/h2-6,23H,7,21H2,1H3/t14-/m0/s1
InChIKeyKPMVNBZVVPQSFT-AWEZNQCLSA-N
XLogP3.37
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.18
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
(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-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
(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
(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-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
CID 118397062
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
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 126705297
N,N'-diamino-N-[3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxypropyl]methanimidamide
CID 137426978
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3-(2,3-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
CID 126716684

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (CID 163718588) is (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is Cc1cc(Br)cnc1C(F)(F)[C@](O)(CN)c1ccc(F)cc1F.
What is the InChIKey of (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is KPMVNBZVVPQSFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13BrF4N2O/c1-8-4-9(16)6-22-13(8)15(19,20)14(23,7-21)11-3-2-10(17)5-12(11)18/h2-6,23H,7,21H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol has a molecular weight of 393.18 g/mol, XLogP of 3.37, 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-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 163718588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).