3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine

C12H12F3N3O — CID 75454577

IUPAC3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
SMILESFC(F)(F)COCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2
InChIKeyNDKPHAJWWYAHNP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.52
Rot. Bonds5

About 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine

3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine (PubChem CID 75454577) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
PubChem CID75454577
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
SMILESFC(F)(F)COCCn1ccnc1-c1cccnc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2
InChIKeyNDKPHAJWWYAHNP-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-amine
CID 165473463
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411423
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
CID 86266190
2-[3-(2-pyridin-3-ylimidazol-1-yl)propyl]-1,3-benzothiazole
CID 70719180
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66415652
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzenecarbothioamide
CID 82558948
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine (CID 75454577) is 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine is FC(F)(F)COCCn1ccnc1-c1cccnc1.
What is the InChIKey of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
The InChIKey is NDKPHAJWWYAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-19-7-6-18-5-4-17-11(18)10-2-1-3-16-8-10/h1-5,8H,6-7,9H2.
What are the key properties of 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine?
3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine has a molecular weight of 271.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 75454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).