3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide

C14H14FN3O2 — CID 107666698

IUPAC3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2ccccc2=O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c15-11-9-10(14(16)17)4-5-12(11)20-8-7-18-6-2-1-3-13(18)19/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyPEMCHGZHALOQMR-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.35
Rot. Bonds5

About 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide

3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide (PubChem CID 107666698) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
PubChem CID107666698
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2ccccc2=O)c(F)c1
InChIInChI=1S/C14H14FN3O2/c15-11-9-10(14(16)17)4-5-12(11)20-8-7-18-6-2-1-3-13(18)19/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyPEMCHGZHALOQMR-UHFFFAOYSA-N
XLogP1.35
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenecarboximidamide
CID 107666684
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenecarboximidamide
CID 107666557
1-[2-(2-amino-5-fluorophenoxy)ethyl]pyridin-2-one
CID 82896589
N'-hydroxy-4-methyl-3-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide
CID 107656907
methyl 3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzoate
CID 82899166
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide (CID 107666698) is 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCn2ccccc2=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
The InChIKey is PEMCHGZHALOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-9-10(14(16)17)4-5-12(11)20-8-7-18-6-2-1-3-13(18)19/h1-6,9H,7-8H2,(H3,16,17).
What are the key properties of 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide?
3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide has a molecular weight of 275.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 107666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).