[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

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Related Compounds

1-(6-(Trifluoromethyl)pyridin-3-yl)ethanol
CID 49760380
(1S)-2-(tert-butylamino)-1-[4-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154292
tert-butyl N-[4-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]butyl]carbamate
CID 168923920
N-(2-hydroxy-2-pyridin-3-ylethyl)tetradecanamide
CID 71458407
(1S)-2-(tert-butylamino)-1-[3-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155142364
methyl N-(2-hydroxy-2-pyridin-3-ylethyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 162379761
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
CID 162379826
methyl N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 168924017
3-Pyridinemethanol, alpha-methyl-6-(trifluoromethyl)-, (alphaR)-
CID 96532185
(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 44323835
1-[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(pyridin-2-ylmethyl)urea
CID 53591355
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587

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).