6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide

C13H12ClN3O2 — CID 43364410

IUPAC6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(Cl)c(Oc2ccc(/C(N)=N/O)cn2)c1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-4-10(14)11(6-8)19-12-5-3-9(7-16-12)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeySLVVLVRJAIOXQB-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.93
Rot. Bonds3

About 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide

6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43364410) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID43364410
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESCc1ccc(Cl)c(Oc2ccc(/C(N)=N/O)cn2)c1
InChIInChI=1S/C13H12ClN3O2/c1-8-2-4-10(14)11(6-8)19-12-5-3-9(7-16-12)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeySLVVLVRJAIOXQB-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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Related Compounds

6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
4-[(2-chloro-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 76953401
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
CID 64855796

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide (CID 43364410) is 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide is Cc1ccc(Cl)c(Oc2ccc(/C(N)=N/O)cn2)c1.
What is the InChIKey of 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is SLVVLVRJAIOXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-2-4-10(14)11(6-8)19-12-5-3-9(7-16-12)13(15)17-18/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide?
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide 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 6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43364410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).