3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

C9H10ClF3N2O2 — CID 66175652

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H,14,15)
InChIKeyFFLKJPMJZVVNRR-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.52
Rot. Bonds4

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (PubChem CID 66175652) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
PubChem CID66175652
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESOCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H,14,15)
InChIKeyFFLKJPMJZVVNRR-UHFFFAOYSA-N
XLogP1.52
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (CID 66175652) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is OCC(O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The InChIKey is FFLKJPMJZVVNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H,14,15).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol has a molecular weight of 270.64 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is sourced from PubChem (CID 66175652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).