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

C10H13F3N2O — CID 155213740

IUPAC1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide
SMILESCCC(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-8(10(11,12)13)15-5-3-4-7(6-15)9(14)16/h3-5,8H,2,6H2,1H3,(H2,14,16)
InChIKeyDDMYCPDRGGLQOI-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.57
Rot. Bonds3

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

1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide (PubChem CID 155213740) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide
PubChem CID155213740
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide
SMILESCCC(N1C=CC=C(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-2-8(10(11,12)13)15-5-3-4-7(6-15)9(14)16/h3-5,8H,2,6H2,1H3,(H2,14,16)
InChIKeyDDMYCPDRGGLQOI-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.57
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-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide (CID 155213740) is 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide is CCC(N1C=CC=C(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide?
The InChIKey is DDMYCPDRGGLQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(10(11,12)13)15-5-3-4-7(6-15)9(14)16/h3-5,8H,2,6H2,1H3,(H2,14,16).
What are the key properties of 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide?
1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluorobutan-2-yl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 155213740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).