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

C10H15F3N2O — CID 141299345

IUPAC2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
SMILESCN(C)CC1C(O)=CC=CN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-14(2)6-8-9(16)4-3-5-15(8)7-10(11,12)13/h3-5,8,16H,6-7H2,1-2H3
InChIKeyZIFQOPSLTXVJIE-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.75
Rot. Bonds3

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

2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol (PubChem CID 141299345) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
PubChem CID141299345
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
SMILESCN(C)CC1C(O)=CC=CN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-14(2)6-8-9(16)4-3-5-15(8)7-10(11,12)13/h3-5,8,16H,6-7H2,1-2H3
InChIKeyZIFQOPSLTXVJIE-UHFFFAOYSA-N
XLogP1.75
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[2,2,2-trifluoro-1-[methyl(prop-2-ynyl)amino]ethyl]-2H-pyridine-3,4-diol
CID 90340109
6-(difluoromethyl)-2-ethyl-1-methyl-2H-pyridin-3-ol
CID 141220732
6-(difluoromethyl)-1,2-dimethyl-2H-pyridin-3-ol
CID 141220741
2-(difluoromethyl)-1-methyl-2H-pyridin-3-ol
CID 141220745
1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141220747
1-methyl-2-[2,2,2-trifluoro-1-(prop-2-enylamino)ethyl]-2H-pyridin-3-ol
CID 141299350
2-[(dimethylamino)methyl]-6-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299351
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol
CID 141299363
5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol
CID 141299366
1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol
CID 141299369

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol (CID 141299345) is 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol is CN(C)CC1C(O)=CC=CN1CC(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The InChIKey is ZIFQOPSLTXVJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-14(2)6-8-9(16)4-3-5-15(8)7-10(11,12)13/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol has a molecular weight of 236.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol is sourced from PubChem (CID 141299345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).