N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C13H10ClFN4O — CID 56934173

IUPACN'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(F)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10ClFN4O/c14-11-7-10(1-2-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyUIGVMBLPUAKILM-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.47
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56934173) has the molecular formula C13H10ClFN4O and a molecular weight of 292.70 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56934173
Molecular FormulaC13H10ClFN4O
Molecular Weight292.70 g/mol
Exact Mass292.05
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESO=C(NN/C=N/c1ccc(F)c(Cl)c1)c1ccncc1
InChIInChI=1S/C13H10ClFN4O/c14-11-7-10(1-2-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20)
InChIKeyUIGVMBLPUAKILM-UHFFFAOYSA-N
XLogP2.47
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56934173) is N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is O=C(NN/C=N/c1ccc(F)c(Cl)c1)c1ccncc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is UIGVMBLPUAKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O/c14-11-7-10(1-2-12(11)15)17-8-18-19-13(20)9-3-5-16-6-4-9/h1-8H,(H,17,18)(H,19,20).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 292.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56934173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).