5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol

C11H17F3N2O — CID 141299348

IUPAC5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(N(C)C)C(F)(F)F)=CN1C
InChIInChI=1S/C11H17F3N2O/c1-7-9(17)5-8(6-16(7)4)10(15(2)3)11(12,13)14/h5-7,10,17H,1-4H3
InChIKeyOLIWMKWFDGERSW-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.14
Rot. Bonds2

About 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol

5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol (PubChem CID 141299348) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol
PubChem CID141299348
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(N(C)C)C(F)(F)F)=CN1C
InChIInChI=1S/C11H17F3N2O/c1-7-9(17)5-8(6-16(7)4)10(15(2)3)11(12,13)14/h5-7,10,17H,1-4H3
InChIKeyOLIWMKWFDGERSW-UHFFFAOYSA-N
XLogP2.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-2-ethyl-1-methyl-2H-pyridin-3-ol
CID 141220732
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol
CID 141299354
1,2-dimethyl-5-(2,2,2-trifluoro-1-piperidin-1-ylethyl)-2H-pyridin-3-ol
CID 141299359

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol?
The IUPAC name of 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol (CID 141299348) is 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol.
What is the SMILES notation for 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol?
The canonical SMILES for 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol is CC1C(O)=CC(C(N(C)C)C(F)(F)F)=CN1C.
What is the InChIKey of 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol?
The InChIKey is OLIWMKWFDGERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-7-9(17)5-8(6-16(7)4)10(15(2)3)11(12,13)14/h5-7,10,17H,1-4H3.
What are the key properties of 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol?
5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol has a molecular weight of 250.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol is sourced from PubChem (CID 141299348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).