1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol

C9H12F3NO — CID 141220747

IUPAC1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
SMILESCC1C(O)=CC=C(CC(F)(F)F)N1C
InChIInChI=1S/C9H12F3NO/c1-6-8(14)4-3-7(13(6)2)5-9(10,11)12/h3-4,6,14H,5H2,1-2H3
InChIKeyNDEPELCOPAGSHI-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.60
Rot. Bonds1

About 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol

1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol (PubChem CID 141220747) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol.

Molecular Properties

Compound Name1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
PubChem CID141220747
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
SMILESCC1C(O)=CC=C(CC(F)(F)F)N1C
InChIInChI=1S/C9H12F3NO/c1-6-8(14)4-3-7(13(6)2)5-9(10,11)12/h3-4,6,14H,5H2,1-2H3
InChIKeyNDEPELCOPAGSHI-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299345
2-[(dimethylamino)methyl]-6-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299351
2-(dimethylamino)-1-methyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299358
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol
CID 141299363
6-(difluoromethyl)-2-(hydroxymethyl)-1-methyl-2H-pyridin-3-ol
CID 149751276
2-methyl-1-prop-2-enyl-2H-pyridin-3-ol
CID 67866577
1-ethyl-2-methyl-2H-pyridin-3-ol
CID 151875737

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The IUPAC name of 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol (CID 141220747) is 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol.
What is the SMILES notation for 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The canonical SMILES for 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol is CC1C(O)=CC=C(CC(F)(F)F)N1C.
What is the InChIKey of 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
The InChIKey is NDEPELCOPAGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6-8(14)4-3-7(13(6)2)5-9(10,11)12/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol?
1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol has a molecular weight of 207.19 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol is sourced from PubChem (CID 141220747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).