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

C9H13FN2O — CID 66039605

IUPAC2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cncc(F)c1
InChIInChI=1S/C9H13FN2O/c1-9(13,6-11-2)7-3-8(10)5-12-4-7/h3-5,11,13H,6H2,1-2H3
InChIKeyDYKJLCDCGZENCS-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.65
Rot. Bonds3

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

2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol (PubChem CID 66039605) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
PubChem CID66039605
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cncc(F)c1
InChIInChI=1S/C9H13FN2O/c1-9(13,6-11-2)7-3-8(10)5-12-4-7/h3-5,11,13H,6H2,1-2H3
InChIKeyDYKJLCDCGZENCS-UHFFFAOYSA-N
XLogP0.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol (CID 66039605) is 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol is CNCC(C)(O)c1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol?
The InChIKey is DYKJLCDCGZENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(13,6-11-2)7-3-8(10)5-12-4-7/h3-5,11,13H,6H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol?
2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 66039605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).