3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide

C9H9F3N2O2 — CID 173078364

IUPAC3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(C(F)(F)F)ccc1CCO
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-5(3-4-15)7(14-6)8(13)16/h1-2,15H,3-4H2,(H2,13,16)
InChIKeyPUVXSRMXOGEECE-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.73
Rot. Bonds3

About 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide

3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 173078364) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID173078364
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(C(F)(F)F)ccc1CCO
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-5(3-4-15)7(14-6)8(13)16/h1-2,15H,3-4H2,(H2,13,16)
InChIKeyPUVXSRMXOGEECE-UHFFFAOYSA-N
XLogP0.73
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 173078364) is 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1nc(C(F)(F)F)ccc1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PUVXSRMXOGEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-5(3-4-15)7(14-6)8(13)16/h1-2,15H,3-4H2,(H2,13,16).
What are the key properties of 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 173078364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).