[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol

C5H4F3N3O3 — CID 154332251

IUPAC[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1cnc(CO)n1C(F)(F)F
InChIInChI=1S/C5H4F3N3O3/c6-5(7,8)10-3(2-12)9-1-4(10)11(13)14/h1,12H,2H2
InChIKeyWJPBGOLDABBMJC-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.76
Rot. Bonds2

About [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol

[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol (PubChem CID 154332251) has the molecular formula C5H4F3N3O3 and a molecular weight of 211.10 g/mol. Its IUPAC name is [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol
PubChem CID154332251
Molecular FormulaC5H4F3N3O3
Molecular Weight211.10 g/mol
Exact Mass211.02
IUPAC Name[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1cnc(CO)n1C(F)(F)F
InChIInChI=1S/C5H4F3N3O3/c6-5(7,8)10-3(2-12)9-1-4(10)11(13)14/h1,12H,2H2
InChIKeyWJPBGOLDABBMJC-UHFFFAOYSA-N
XLogP0.76
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol?
The IUPAC name of [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol (CID 154332251) is [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol.
What is the SMILES notation for [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol?
The canonical SMILES for [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol is O=[N+]([O-])c1cnc(CO)n1C(F)(F)F.
What is the InChIKey of [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol?
The InChIKey is WJPBGOLDABBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O3/c6-5(7,8)10-3(2-12)9-1-4(10)11(13)14/h1,12H,2H2.
What are the key properties of [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol?
[5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol has a molecular weight of 211.10 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-1-(trifluoromethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 154332251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).