1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol

C9H12BrFN2O — CID 103095286

IUPAC1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O/c1-6(14)5-13(2)9-8(11)3-7(10)4-12-9/h3-4,6,14H,5H2,1-2H3
InChIKeyBTOYYNYOQOXZIG-UHFFFAOYSA-N
MW263.11 g/mol
LogP1.80
Rot. Bonds3

About 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol

1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 103095286) has the molecular formula C9H12BrFN2O and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID103095286
Molecular FormulaC9H12BrFN2O
Molecular Weight263.11 g/mol
Exact Mass262.01
IUPAC Name1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O/c1-6(14)5-13(2)9-8(11)3-7(10)4-12-9/h3-4,6,14H,5H2,1-2H3
InChIKeyBTOYYNYOQOXZIG-UHFFFAOYSA-N
XLogP1.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol (CID 103095286) is 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol is CC(O)CN(C)c1ncc(Br)cc1F.
What is the InChIKey of 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is BTOYYNYOQOXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O/c1-6(14)5-13(2)9-8(11)3-7(10)4-12-9/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol?
1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 103095286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).