1-ethanimidoyl-5-fluoropyridin-2-imine

C7H8FN3 — CID 123588695

IUPAC1-ethanimidoyl-5-fluoropyridin-2-imine
SMILES[H]/N=C(\C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C7H8FN3/c1-5(9)11-4-6(8)2-3-7(11)10/h2-4,9-10H,1H3/b9-5+,10-7+
InChIKeyZWZFGTLGICQVIB-FWMCCXIMSA-N
MW153.16 g/mol
LogP0.95
Rot. Bonds

About 1-ethanimidoyl-5-fluoropyridin-2-imine

1-ethanimidoyl-5-fluoropyridin-2-imine (PubChem CID 123588695) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-ethanimidoyl-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-ethanimidoyl-5-fluoropyridin-2-imine
PubChem CID123588695
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name1-ethanimidoyl-5-fluoropyridin-2-imine
SMILES[H]/N=C(\C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C7H8FN3/c1-5(9)11-4-6(8)2-3-7(11)10/h2-4,9-10H,1H3/b9-5+,10-7+
InChIKeyZWZFGTLGICQVIB-FWMCCXIMSA-N
XLogP0.95
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-methylpyridin-2(1H)-imine
CID 138111
1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
N-methylpyridonimine hydrochloride
CID 90654282
2-Amino-1-methylpyridinium iodide
CID 201833
1-(2,2,2-Trifluoroethyl)pyridin-2-imine;hydrobromide
CID 90654284
5-Fluoro-1-methylpyridin-2-imine;hydrobromide
CID 90654292
Pyridine, 1,2-dihydro-2-imino-1,6-dimethyl-
CID 86173652
1-Prop-2-enylpyridin-2-imine
CID 10866378
4-Fluoro-1-methylpyridin-2-imine
CID 66665355
1-(C,N-dimethylcarbonimidoyl)-5-fluoropyridin-2-imine
CID 89441546
5-Fluoro-1-methanimidoylpyridin-2-imine
CID 89624375
5-Fluoro-1-methylpyridin-2-imine
CID 90654293

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-5-fluoropyridin-2-imine?
The IUPAC name of 1-ethanimidoyl-5-fluoropyridin-2-imine (CID 123588695) is 1-ethanimidoyl-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-ethanimidoyl-5-fluoropyridin-2-imine?
The canonical SMILES for 1-ethanimidoyl-5-fluoropyridin-2-imine is [H]/N=C(\C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 1-ethanimidoyl-5-fluoropyridin-2-imine?
The InChIKey is ZWZFGTLGICQVIB-FWMCCXIMSA-N. The full InChI is InChI=1S/C7H8FN3/c1-5(9)11-4-6(8)2-3-7(11)10/h2-4,9-10H,1H3/b9-5+,10-7+.
What are the key properties of 1-ethanimidoyl-5-fluoropyridin-2-imine?
1-ethanimidoyl-5-fluoropyridin-2-imine has a molecular weight of 153.16 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-5-fluoropyridin-2-imine is sourced from PubChem (CID 123588695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).