[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea

C10H12F3N3O3 — CID 168892458

IUPAC[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
SMILESNC(=O)NC(CO)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-19-8-3-6(1-2-15-8)7(4-17)16-9(14)18/h1-3,7,17H,4-5H2,(H3,14,16,18)
InChIKeyIJKPXRZSYPRGNI-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.72
Rot. Bonds5

About [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea

[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea (PubChem CID 168892458) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea.

Molecular Properties

Compound Name[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
PubChem CID168892458
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea
SMILESNC(=O)NC(CO)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)5-19-8-3-6(1-2-15-8)7(4-17)16-9(14)18/h1-3,7,17H,4-5H2,(H3,14,16,18)
InChIKeyIJKPXRZSYPRGNI-UHFFFAOYSA-N
XLogP0.72
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea with MolForge

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Related Compounds

tert-butyl N-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 178036066
2-(2,2,2-trifluoroethoxy)pyridine-4-carbothioamide
CID 24697236
cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;hydrochloride
CID 178036037
1-propan-2-yl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050187
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
1-[(1R)-2-fluoro-1-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787411
N-[6-methyl-6-[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethylamino]-1H-pyrazin-2-yl]propanamide
CID 174836404
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
ethane;1-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 171787255
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea?
The IUPAC name of [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea (CID 168892458) is [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea.
What is the SMILES notation for [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea?
The canonical SMILES for [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea is NC(=O)NC(CO)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea?
The InChIKey is IJKPXRZSYPRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)5-19-8-3-6(1-2-15-8)7(4-17)16-9(14)18/h1-3,7,17H,4-5H2,(H3,14,16,18).
What are the key properties of [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea?
[2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea has a molecular weight of 279.22 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]ethyl]urea is sourced from PubChem (CID 168892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).