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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 140609649
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2-(1-hydroxybutan-2-yl)pyridine-3-carboxamide;hydrochloride
CID 142680777
2-(1-hydroxyprop-2-enyl)pyridine-3-carboxamide
CID 66912543
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931

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).