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

C10H14ClF3N2O — CID 141299366

IUPAC5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol
SMILESCN(C)C(C1C(O)=CC(Cl)=CN1C)C(F)(F)F
InChIInChI=1S/C10H14ClF3N2O/c1-15(2)9(10(12,13)14)8-7(17)4-6(11)5-16(8)3/h4-5,8-9,17H,1-3H3
InChIKeyAAHYRYFPPWGIMW-UHFFFAOYSA-N
MW270.68 g/mol
LogP2.32
Rot. Bonds2

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

5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol (PubChem CID 141299366) has the molecular formula C10H14ClF3N2O and a molecular weight of 270.68 g/mol. Its IUPAC name is 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol
PubChem CID141299366
Molecular FormulaC10H14ClF3N2O
Molecular Weight270.68 g/mol
Exact Mass270.07
IUPAC Name5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol
SMILESCN(C)C(C1C(O)=CC(Cl)=CN1C)C(F)(F)F
InChIInChI=1S/C10H14ClF3N2O/c1-15(2)9(10(12,13)14)8-7(17)4-6(11)5-16(8)3/h4-5,8-9,17H,1-3H3
InChIKeyAAHYRYFPPWGIMW-UHFFFAOYSA-N
XLogP2.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol?
The IUPAC name of 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol (CID 141299366) is 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol.
What is the SMILES notation for 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol?
The canonical SMILES for 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol is CN(C)C(C1C(O)=CC(Cl)=CN1C)C(F)(F)F.
What is the InChIKey of 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol?
The InChIKey is AAHYRYFPPWGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N2O/c1-15(2)9(10(12,13)14)8-7(17)4-6(11)5-16(8)3/h4-5,8-9,17H,1-3H3.
What are the key properties of 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol?
5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol has a molecular weight of 270.68 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1-methyl-2H-pyridin-3-ol is sourced from PubChem (CID 141299366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).