1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide

C9H11F3N2O2 — CID 67976590

IUPAC1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide
SMILESCC(ON1CC=CC=C1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-6(9(10,11)12)16-14-5-3-2-4-7(14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15)
InChIKeyZFQRCFAMDLTBDI-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.11
Rot. Bonds3

About 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide

1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide (PubChem CID 67976590) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide
PubChem CID67976590
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide
SMILESCC(ON1CC=CC=C1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-6(9(10,11)12)16-14-5-3-2-4-7(14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15)
InChIKeyZFQRCFAMDLTBDI-UHFFFAOYSA-N
XLogP1.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide (CID 67976590) is 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide is CC(ON1CC=CC=C1C(N)=O)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide?
The InChIKey is ZFQRCFAMDLTBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-6(9(10,11)12)16-14-5-3-2-4-7(14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide?
1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide has a molecular weight of 236.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide is sourced from PubChem (CID 67976590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).