4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide

C13H12ClN3O2 — CID 81277984

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Oc2cncc(Cl)c2)ccc1/C(N)=N/O
InChIInChI=1S/C13H12ClN3O2/c1-8-4-10(2-3-12(8)13(15)17-18)19-11-5-9(14)6-16-7-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyIMFNXZATUCZGAG-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.93
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide

4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 81277984) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID81277984
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(Oc2cncc(Cl)c2)ccc1/C(N)=N/O
InChIInChI=1S/C13H12ClN3O2/c1-8-4-10(2-3-12(8)13(15)17-18)19-11-5-9(14)6-16-7-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyIMFNXZATUCZGAG-UHFFFAOYSA-N
XLogP2.93
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.93
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'}, {'alert_name': 'oxime_1', '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 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide (CID 81277984) is 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1cc(Oc2cncc(Cl)c2)ccc1/C(N)=N/O.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is IMFNXZATUCZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-4-10(2-3-12(8)13(15)17-18)19-11-5-9(14)6-16-7-11/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide?
4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 277.71 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).