3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol

C9H13FN2O — CID 79003566

IUPAC3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O/c1-7(5-6-13)11-9-4-2-3-8(10)12-9/h2-4,7,13H,5-6H2,1H3,(H,11,12)
InChIKeyFSLWASHSTYBGIX-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.40
Rot. Bonds4

About 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol

3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol (PubChem CID 79003566) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol
PubChem CID79003566
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1cccc(F)n1
InChIInChI=1S/C9H13FN2O/c1-7(5-6-13)11-9-4-2-3-8(10)12-9/h2-4,7,13H,5-6H2,1H3,(H,11,12)
InChIKeyFSLWASHSTYBGIX-UHFFFAOYSA-N
XLogP1.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol (CID 79003566) is 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol is CC(CCO)Nc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is FSLWASHSTYBGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7(5-6-13)11-9-4-2-3-8(10)12-9/h2-4,7,13H,5-6H2,1H3,(H,11,12).
What are the key properties of 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol?
3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 79003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).