3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol

C8H11FN2O — CID 84653760

IUPAC3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
SMILESNCCC(O)c1ncccc1F
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5-11-8(6)7(12)3-4-10/h1-2,5,7,12H,3-4,10H2
InChIKeyBLYRUHZPARZUTH-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.60
Rot. Bonds3

About 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol

3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 84653760) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
PubChem CID84653760
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol
SMILESNCCC(O)c1ncccc1F
InChIInChI=1S/C8H11FN2O/c9-6-2-1-5-11-8(6)7(12)3-4-10/h1-2,5,7,12H,3-4,10H2
InChIKeyBLYRUHZPARZUTH-UHFFFAOYSA-N
XLogP0.60
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol (CID 84653760) is 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol is NCCC(O)c1ncccc1F.
What is the InChIKey of 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is BLYRUHZPARZUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c9-6-2-1-5-11-8(6)7(12)3-4-10/h1-2,5,7,12H,3-4,10H2.
What are the key properties of 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol?
3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 170.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 84653760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).