3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide

C12H9F2N3O — CID 81293654

IUPAC3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cccnc2)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-9-4-7(12(15)16)5-10(14)11(9)18-8-2-1-3-17-6-8/h1-6H,(H3,15,16)
InChIKeyWVJGKPITCTXKGS-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.44
Rot. Bonds3

About 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide

3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide (PubChem CID 81293654) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
PubChem CID81293654
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cccnc2)c(F)c1
InChIInChI=1S/C12H9F2N3O/c13-9-4-7(12(15)16)5-10(14)11(9)18-8-2-1-3-17-6-8/h1-6H,(H3,15,16)
InChIKeyWVJGKPITCTXKGS-UHFFFAOYSA-N
XLogP2.44
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.44
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

4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81342133
3-methoxy-5-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 103567747
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide (CID 81293654) is 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2cccnc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide?
The InChIKey is WVJGKPITCTXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-9-4-7(12(15)16)5-10(14)11(9)18-8-2-1-3-17-6-8/h1-6H,(H3,15,16).
What are the key properties of 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide?
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide has a molecular weight of 249.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide is sourced from PubChem (CID 81293654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).