6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

C8H8ClF3N2O2 — CID 165153609

IUPAC6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14;/h1-3H,4H2,(H2,12,14);1H
InChIKeyDTFZHOSOSUVFPX-UHFFFAOYSA-N
MW256.61 g/mol
LogP1.54
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride

6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 165153609) has the molecular formula C8H8ClF3N2O2 and a molecular weight of 256.61 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
PubChem CID165153609
Molecular FormulaC8H8ClF3N2O2
Molecular Weight256.61 g/mol
Exact Mass256.02
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14;/h1-3H,4H2,(H2,12,14);1H
InChIKeyDTFZHOSOSUVFPX-UHFFFAOYSA-N
XLogP1.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride (CID 165153609) is 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is DTFZHOSOSUVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.ClH/c9-8(10,11)4-15-6-2-1-5(3-13-6)7(12)14;/h1-3H,4H2,(H2,12,14);1H.
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride?
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 256.61 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 165153609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).