3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide

C13H12ClN3O2 — CID 61388852

IUPAC3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O2/c14-11-7-9(13(15)17-18)4-5-12(11)19-8-10-3-1-2-6-16-10/h1-7,18H,8H2,(H2,15,17)
InChIKeyZMOIDKFNVTZJMG-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide (PubChem CID 61388852) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
PubChem CID61388852
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O2/c14-11-7-9(13(15)17-18)4-5-12(11)19-8-10-3-1-2-6-16-10/h1-7,18H,8H2,(H2,15,17)
InChIKeyZMOIDKFNVTZJMG-UHFFFAOYSA-N
XLogP2.41
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.41
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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Related Compounds

3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-chloro-4-(furan-2-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 76984328
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide (CID 61388852) is 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide is NC(=NO)c1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is ZMOIDKFNVTZJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-11-7-9(13(15)17-18)4-5-12(11)19-8-10-3-1-2-6-16-10/h1-7,18H,8H2,(H2,15,17).
What are the key properties of 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 277.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 61388852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).