N-(2,6-difluoro-4-pyridinyl)acetamide

C7H6F2N2O — CID 118295532

IUPACN-(2,6-difluoro-4-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C7H6F2N2O/c1-4(12)10-5-2-6(8)11-7(9)3-5/h2-3H,1H3,(H,10,11,12)
InChIKeyPDBHPUGGNLWSIY-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.32
Rot. Bonds1

About N-(2,6-difluoro-4-pyridinyl)acetamide

N-(2,6-difluoro-4-pyridinyl)acetamide (PubChem CID 118295532) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is N-(2,6-difluoro-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-4-pyridinyl)acetamide
PubChem CID118295532
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC NameN-(2,6-difluoro-4-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C7H6F2N2O/c1-4(12)10-5-2-6(8)11-7(9)3-5/h2-3H,1H3,(H,10,11,12)
InChIKeyPDBHPUGGNLWSIY-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-pyridinyl)acetamide?
The IUPAC name of N-(2,6-difluoro-4-pyridinyl)acetamide (CID 118295532) is N-(2,6-difluoro-4-pyridinyl)acetamide.
What is the SMILES notation for N-(2,6-difluoro-4-pyridinyl)acetamide?
The canonical SMILES for N-(2,6-difluoro-4-pyridinyl)acetamide is CC(=O)Nc1cc(F)nc(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-pyridinyl)acetamide?
The InChIKey is PDBHPUGGNLWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c1-4(12)10-5-2-6(8)11-7(9)3-5/h2-3H,1H3,(H,10,11,12).
What are the key properties of N-(2,6-difluoro-4-pyridinyl)acetamide?
N-(2,6-difluoro-4-pyridinyl)acetamide has a molecular weight of 172.13 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-pyridinyl)acetamide is sourced from PubChem (CID 118295532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).