N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide

C9H7F2N5O — CID 103097798

IUPACN-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(F)nc1F
InChIInChI=1S/C9H7F2N5O/c10-7-2-1-6(9(11)14-7)13-8(17)5-16-4-3-12-15-16/h1-4H,5H2,(H,13,17)
InChIKeyMIYRQVBGQFTEEU-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.59
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide

N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide (PubChem CID 103097798) has the molecular formula C9H7F2N5O and a molecular weight of 239.19 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
PubChem CID103097798
Molecular FormulaC9H7F2N5O
Molecular Weight239.19 g/mol
Exact Mass239.06
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(F)nc1F
InChIInChI=1S/C9H7F2N5O/c10-7-2-1-6(9(11)14-7)13-8(17)5-16-4-3-12-15-16/h1-4H,5H2,(H,13,17)
InChIKeyMIYRQVBGQFTEEU-UHFFFAOYSA-N
XLogP0.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide 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

3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348470
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
N-(2,6-difluoro-3-pyridinyl)-2-phenylacetamide
CID 103097971
3-[2-[[2-(triazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 107272393
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
CID 103097646
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
2-(2-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103098029
6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide
CID 176575728

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide (CID 103097798) is N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide?
The InChIKey is MIYRQVBGQFTEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5O/c10-7-2-1-6(9(11)14-7)13-8(17)5-16-4-3-12-15-16/h1-4H,5H2,(H,13,17).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide?
N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide has a molecular weight of 239.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103097798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).