[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol

C11H9F4N3O — CID 172583950

IUPAC[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CO)c(F)n1
InChIInChI=1S/C11H9F4N3O/c1-18-4-8(11(13,14)15)17-10(18)7-3-2-6(5-19)9(12)16-7/h2-4,19H,5H2,1H3
InChIKeyOFMMHHRDCQLHMA-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.13
Rot. Bonds2

About [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol

[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol (PubChem CID 172583950) has the molecular formula C11H9F4N3O and a molecular weight of 275.21 g/mol. Its IUPAC name is [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol
PubChem CID172583950
Molecular FormulaC11H9F4N3O
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(CO)c(F)n1
InChIInChI=1S/C11H9F4N3O/c1-18-4-8(11(13,14)15)17-10(18)7-3-2-6(5-19)9(12)16-7/h2-4,19H,5H2,1H3
InChIKeyOFMMHHRDCQLHMA-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-sec-butyl-1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1H-imidazol-5-yl)-2-methylpropan-1-ol
CID 44407163
(E)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylonitrile
CID 44407205
2-(4-(2-sec-butyl-5-(1-hydroxyethyl)-1H-imidazol-1-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 44407231
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-isopropyl-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407262
(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134139925
(2R)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134148873
(2S)-2-[5-(3-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134153997
US9518055, Example 38
CID 71535397
US10738057, Example 58
CID 138562197

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol (CID 172583950) is [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol is Cn1cc(C(F)(F)F)nc1-c1ccc(CO)c(F)n1.
What is the InChIKey of [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol?
The InChIKey is OFMMHHRDCQLHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-18-4-8(11(13,14)15)17-10(18)7-3-2-6(5-19)9(12)16-7/h2-4,19H,5H2,1H3.
What are the key properties of [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol?
[2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol has a molecular weight of 275.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 172583950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).