2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide

C12H9F2N3O — CID 15255285

IUPAC2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
SMILESON/C(=N\c1ccncc1)c1cccc(F)c1F
InChIInChI=1S/C12H9F2N3O/c13-10-3-1-2-9(11(10)14)12(17-18)16-8-4-6-15-7-5-8/h1-7,18H,(H,15,16,17)
InChIKeyXTTLOARJAUYFIS-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.42
Rot. Bonds2

About 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide

2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide (PubChem CID 15255285) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
PubChem CID15255285
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
SMILESON/C(=N\c1ccncc1)c1cccc(F)c1F
InChIInChI=1S/C12H9F2N3O/c13-10-3-1-2-9(11(10)14)12(17-18)16-8-4-6-15-7-5-8/h1-7,18H,(H,15,16,17)
InChIKeyXTTLOARJAUYFIS-UHFFFAOYSA-N
XLogP2.42
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.42
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N'-pyridin-4-ylethanimidamide
CID 54168980
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2-amino-N'-(3-bromophenyl)-6,7-difluoro-N-hydroxy-3H-benzimidazole-4-carboximidamide
CID 122686646
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
2,3-difluorobenzoyl bromide
CID 91168195
(C-methyl-N-pyridin-4-ylcarbonimidoyl) N-pyridin-4-ylethanimidate
CID 67902406
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
1,2,3-trifluorobenzene
CID 15147
N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
CID 22347130
acetyl 2,3-difluorobenzoate
CID 150014142
N-tert-butylsulfanyl-1-(2,3-difluorophenyl)ethanimine
CID 174890711
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide?
The IUPAC name of 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide (CID 15255285) is 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide.
What is the SMILES notation for 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide?
The canonical SMILES for 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide is ON/C(=N\c1ccncc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide?
The InChIKey is XTTLOARJAUYFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-10-3-1-2-9(11(10)14)12(17-18)16-8-4-6-15-7-5-8/h1-7,18H,(H,15,16,17).
What are the key properties of 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide?
2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide has a molecular weight of 249.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 15255285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).