5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol

C9H12F3NO — CID 175617349

IUPAC5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol
SMILESCCC1=CN(CC(F)(F)F)C(O)C=C1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-4-8(14)13(5-7)6-9(10,11)12/h3-5,8,14H,2,6H2,1H3
InChIKeyMWYUQRWPRWGHQH-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.03
Rot. Bonds2

About 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol

5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol (PubChem CID 175617349) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol
PubChem CID175617349
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol
SMILESCCC1=CN(CC(F)(F)F)C(O)C=C1
InChIInChI=1S/C9H12F3NO/c1-2-7-3-4-8(14)13(5-7)6-9(10,11)12/h3-5,8,14H,2,6H2,1H3
InChIKeyMWYUQRWPRWGHQH-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol?
The IUPAC name of 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol (CID 175617349) is 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol.
What is the SMILES notation for 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol?
The canonical SMILES for 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol is CCC1=CN(CC(F)(F)F)C(O)C=C1.
What is the InChIKey of 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol?
The InChIKey is MWYUQRWPRWGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-7-3-4-8(14)13(5-7)6-9(10,11)12/h3-5,8,14H,2,6H2,1H3.
What are the key properties of 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol?
5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol has a molecular weight of 207.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ol is sourced from PubChem (CID 175617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).