2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide

C9H9F3N2O — CID 140528330

IUPAC2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](c1ncccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5(9(10,11)12)7-6(8(13)15)3-2-4-14-7/h2-5H,1H3,(H2,13,15)/t5-/m0/s1
InChIKeyJUUBITYJUJFLOE-YFKPBYRVSA-N
MW218.18 g/mol
LogP1.85
Rot. Bonds2

About 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide

2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide (PubChem CID 140528330) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
PubChem CID140528330
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](c1ncccc1C(N)=O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5(9(10,11)12)7-6(8(13)15)3-2-4-14-7/h2-5H,1H3,(H2,13,15)/t5-/m0/s1
InChIKeyJUUBITYJUJFLOE-YFKPBYRVSA-N
XLogP1.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide (CID 140528330) is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide is C[C@@H](c1ncccc1C(N)=O)C(F)(F)F.
What is the InChIKey of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
The InChIKey is JUUBITYJUJFLOE-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5(9(10,11)12)7-6(8(13)15)3-2-4-14-7/h2-5H,1H3,(H2,13,15)/t5-/m0/s1.
What are the key properties of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide?
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide has a molecular weight of 218.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 140528330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).