5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol

C9H11ClF3NO — CID 141299354

IUPAC5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(Cl)C(F)(F)F)=CN1C
InChIInChI=1S/C9H11ClF3NO/c1-5-7(15)3-6(4-14(5)2)8(10)9(11,12)13/h3-5,8,15H,1-2H3
InChIKeyLMCCUSJUZBYGCW-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.82
Rot. Bonds1

About 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol

5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol (PubChem CID 141299354) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol
PubChem CID141299354
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol
SMILESCC1C(O)=CC(C(Cl)C(F)(F)F)=CN1C
InChIInChI=1S/C9H11ClF3NO/c1-5-7(15)3-6(4-14(5)2)8(10)9(11,12)13/h3-5,8,15H,1-2H3
InChIKeyLMCCUSJUZBYGCW-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-1,2-dimethyl-2H-pyridin-3-ol
CID 141299348

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol?
The IUPAC name of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol (CID 141299354) is 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol.
What is the SMILES notation for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol?
The canonical SMILES for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol is CC1C(O)=CC(C(Cl)C(F)(F)F)=CN1C.
What is the InChIKey of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol?
The InChIKey is LMCCUSJUZBYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO/c1-5-7(15)3-6(4-14(5)2)8(10)9(11,12)13/h3-5,8,15H,1-2H3.
What are the key properties of 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol?
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol has a molecular weight of 241.64 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dimethyl-2H-pyridin-3-ol is sourced from PubChem (CID 141299354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).