6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol

C9H11F3N2O — CID 79793918

IUPAC6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-4-13-5-7-1-2-8(15)6-14-7/h1-2,6,13,15H,3-5H2
InChIKeyDANDDLUIAAZVBW-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.83
Rot. Bonds4

About 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol

6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol (PubChem CID 79793918) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
PubChem CID79793918
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-4-13-5-7-1-2-8(15)6-14-7/h1-2,6,13,15H,3-5H2
InChIKeyDANDDLUIAAZVBW-UHFFFAOYSA-N
XLogP1.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol (CID 79793918) is 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol is Oc1ccc(CNCCC(F)(F)F)nc1.
What is the InChIKey of 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
The InChIKey is DANDDLUIAAZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)3-4-13-5-7-1-2-8(15)6-14-7/h1-2,6,13,15H,3-5H2.
What are the key properties of 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol?
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol has a molecular weight of 220.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79793918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).