1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone

C14H15F3N2O3 — CID 141432017

IUPAC1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCOC1C(C)=CN(c2cc(C(F)(F)F)c(C(C)=O)cn2)C1O
InChIInChI=1S/C14H15F3N2O3/c1-7-6-19(13(21)12(7)22-3)11-4-10(14(15,16)17)9(5-18-11)8(2)20/h4-6,12-13,21H,1-3H3
InChIKeyOIHTUWUNKBTKFX-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.36
Rot. Bonds3

About 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone

1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 141432017) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID141432017
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCOC1C(C)=CN(c2cc(C(F)(F)F)c(C(C)=O)cn2)C1O
InChIInChI=1S/C14H15F3N2O3/c1-7-6-19(13(21)12(7)22-3)11-4-10(14(15,16)17)9(5-18-11)8(2)20/h4-6,12-13,21H,1-3H3
InChIKeyOIHTUWUNKBTKFX-UHFFFAOYSA-N
XLogP2.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

1-{6-[(3R*,4R*)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl}ethanone
CID 70736752
6-[trans-3-Ethoxy-4-hydroxypyrrolidin-1-yl]nicotinamide
CID 91787812
1-[6-[Methyl(3,3,3-trifluoropropyl)amino]-3-pyridinyl]ethanone
CID 81896809
1-[5-acetyl-4-(trifluoromethyl)-2-pyridyl]-2-hydroxy-3-methoxy-4-methyl-2H-pyrrol-5-one
CID 117858876
1-[6-(3,3-Difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 170405395
1-[2-(3,3-Difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 172248236
6-[3-(1,1,1-Trifluoropropan-2-yloxy)azetidin-1-yl]pyridine-3-carbaldehyde
CID 175180508
6-Fluoro-2-(hydroxymethyl)-1-methyl-1,8-naphthyridin-4-one
CID 176347268
1-(4-Fluoro-6-morpholin-4-yl-3-pyridinyl)propan-1-one
CID 178828074
1-{6-[2-(Trifluoromethyl)morpholin-4-YL]pyridin-3-YL}ethanone
CID 56917106
1-[6-[Propyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanone
CID 81896448
1-[6-[Methyl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanone
CID 81896527

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone (CID 141432017) is 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone is COC1C(C)=CN(c2cc(C(F)(F)F)c(C(C)=O)cn2)C1O.
What is the InChIKey of 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is OIHTUWUNKBTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-7-6-19(13(21)12(7)22-3)11-4-10(14(15,16)17)9(5-18-11)8(2)20/h4-6,12-13,21H,1-3H3.
What are the key properties of 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone?
1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 316.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxy-3-methoxy-4-methyl-2,3-dihydropyrrol-1-yl)-4-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 141432017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).