4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol

C11H17FN2O — CID 104862405

IUPAC4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-9(15)3-4-14(2)8-10-5-11(12)7-13-6-10/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyWEXYQPRALVNNKW-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.42
Rot. Bonds5

About 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol

4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol (PubChem CID 104862405) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol
PubChem CID104862405
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1cncc(F)c1
InChIInChI=1S/C11H17FN2O/c1-9(15)3-4-14(2)8-10-5-11(12)7-13-6-10/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyWEXYQPRALVNNKW-UHFFFAOYSA-N
XLogP1.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol (CID 104862405) is 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol is CC(O)CCN(C)Cc1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol?
The InChIKey is WEXYQPRALVNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-9(15)3-4-14(2)8-10-5-11(12)7-13-6-10/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol?
4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol has a molecular weight of 212.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 104862405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).