N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide

C8H8FN3O — CID 87802277

IUPACN-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccnc1F
InChIInChI=1S/C8H8FN3O/c1-6(13)12-11-5-7-3-2-4-10-8(7)9/h2-5H,1H3,(H,12,13)/b11-5+
InChIKeyUNFKNGSYAZKLDV-VZUCSPMQSA-N
MW181.17 g/mol
LogP0.69
Rot. Bonds2

About N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide

N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide (PubChem CID 87802277) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
PubChem CID87802277
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cccnc1F
InChIInChI=1S/C8H8FN3O/c1-6(13)12-11-5-7-3-2-4-10-8(7)9/h2-5H,1H3,(H,12,13)/b11-5+
InChIKeyUNFKNGSYAZKLDV-VZUCSPMQSA-N
XLogP0.69
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide (CID 87802277) is N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide is CC(=O)N/N=C/c1cccnc1F.
What is the InChIKey of N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide?
The InChIKey is UNFKNGSYAZKLDV-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-6(13)12-11-5-7-3-2-4-10-8(7)9/h2-5H,1H3,(H,12,13)/b11-5+.
What are the key properties of N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide?
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide has a molecular weight of 181.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide is sourced from PubChem (CID 87802277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).