1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide

C9H11F3N2O — CID 66910956

IUPAC1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
SMILESCC(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)14-4-2-3-7(5-14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15)
InChIKeyYICNMEGDIXADFT-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.18
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide

1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide (PubChem CID 66910956) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
PubChem CID66910956
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
SMILESCC(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-6(9(10,11)12)14-4-2-3-7(5-14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15)
InChIKeyYICNMEGDIXADFT-UHFFFAOYSA-N
XLogP1.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide (CID 66910956) is 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide is CC(N1C=CC=C(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide?
The InChIKey is YICNMEGDIXADFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6(9(10,11)12)14-4-2-3-7(5-14)8(13)15/h2-4,6H,5H2,1H3,(H2,13,15).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide?
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide has a molecular weight of 220.19 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 66910956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).