3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

C9H11F3N2O2 — CID 66177550

IUPAC3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-13-8(7)14-4-6(16)5-15/h1-3,6,15-16H,4-5H2,(H,13,14)
InChIKeyMSFOEEPWYOTKPI-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.87
Rot. Bonds4

About 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (PubChem CID 66177550) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
PubChem CID66177550
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-13-8(7)14-4-6(16)5-15/h1-3,6,15-16H,4-5H2,(H,13,14)
InChIKeyMSFOEEPWYOTKPI-UHFFFAOYSA-N
XLogP0.87
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (CID 66177550) is 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is OCC(O)CNc1ncccc1C(F)(F)F.
What is the InChIKey of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The InChIKey is MSFOEEPWYOTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-13-8(7)14-4-6(16)5-15/h1-3,6,15-16H,4-5H2,(H,13,14).
What are the key properties of 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol has a molecular weight of 236.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is sourced from PubChem (CID 66177550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).