3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol

C9H10ClF3N2O2 — CID 170829164

IUPAC3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H10ClF3N2O2/c10-7-2-4(8(17)5(16)3-14)1-6(15-7)9(11,12)13/h1-2,5,8,16-17H,3,14H2
InChIKeyOMGGLMVDVPIUHV-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.11
Rot. Bonds3

About 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol

3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol (PubChem CID 170829164) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol
PubChem CID170829164
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol
SMILESNCC(O)C(O)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H10ClF3N2O2/c10-7-2-4(8(17)5(16)3-14)1-6(15-7)9(11,12)13/h1-2,5,8,16-17H,3,14H2
InChIKeyOMGGLMVDVPIUHV-UHFFFAOYSA-N
XLogP1.11
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol (CID 170829164) is 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol is NCC(O)C(O)c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol?
The InChIKey is OMGGLMVDVPIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c10-7-2-4(8(17)5(16)3-14)1-6(15-7)9(11,12)13/h1-2,5,8,16-17H,3,14H2.
What are the key properties of 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol?
3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol has a molecular weight of 270.64 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol is sourced from PubChem (CID 170829164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).