[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid

C10H11F3N2O3 — CID 69265873

IUPAC[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3/c1-5(15-9(17)18)8(16)6-2-3-7(14-4-6)10(11,12)13/h2-5,8,15-16H,1H3,(H,17,18)
InChIKeyDLXCAQJSRXJSFW-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.79
Rot. Bonds3

About [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid

[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid (PubChem CID 69265873) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid
PubChem CID69265873
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O3/c1-5(15-9(17)18)8(16)6-2-3-7(14-4-6)10(11,12)13/h2-5,8,15-16H,1H3,(H,17,18)
InChIKeyDLXCAQJSRXJSFW-UHFFFAOYSA-N
XLogP1.79
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid (CID 69265873) is [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid is CC(NC(=O)O)C(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid?
The InChIKey is DLXCAQJSRXJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-5(15-9(17)18)8(16)6-2-3-7(14-4-6)10(11,12)13/h2-5,8,15-16H,1H3,(H,17,18).
What are the key properties of [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid?
[1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid has a molecular weight of 264.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]carbamic acid is sourced from PubChem (CID 69265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).