2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol

C9H11F3N2O2 — CID 65314262

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
SMILESOCC(CO)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-8(14-7)13-6(4-15)5-16/h1-3,6,15-16H,4-5H2,(H,13,14)
InChIKeyYRKXSEGINNIPMX-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.87
Rot. Bonds4

About 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol

2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol (PubChem CID 65314262) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
PubChem CID65314262
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
SMILESOCC(CO)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-8(14-7)13-6(4-15)5-16/h1-3,6,15-16H,4-5H2,(H,13,14)
InChIKeyYRKXSEGINNIPMX-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 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol (CID 65314262) is 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol is OCC(CO)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The InChIKey is YRKXSEGINNIPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)7-2-1-3-8(14-7)13-6(4-15)5-16/h1-3,6,15-16H,4-5H2,(H,13,14).
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-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 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol is sourced from PubChem (CID 65314262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).