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

C14H11BrF4N2O — CID 118384255

IUPAC3-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
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
InChIKeyLLNZFMVHVFMLMV-UHFFFAOYSA-N
MW379.15 g/mol
LogP3.06
Rot. Bonds4

About 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 118384255) has the molecular formula C14H11BrF4N2O and a molecular weight of 379.15 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
PubChem CID118384255
Molecular FormulaC14H11BrF4N2O
Molecular Weight379.15 g/mol
Exact Mass378.00
IUPAC Name3-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
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
InChIKeyLLNZFMVHVFMLMV-UHFFFAOYSA-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

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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?
The IUPAC name of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol (CID 118384255) is 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 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.
What is the InChIKey of 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is LLNZFMVHVFMLMV-UHFFFAOYSA-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.
What are the key properties of 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 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 3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 118384255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).