2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

C14H14ClN3O2 — CID 76916421

IUPAC2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-7-10(4-6-12(8)15)20-14-11(13(16)18-19)5-3-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyNHYRBBDKIICPRQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916421) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916421
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8-7-10(4-6-12(8)15)20-14-11(13(16)18-19)5-3-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyNHYRBBDKIICPRQ-UHFFFAOYSA-N
XLogP3.24
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.24
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

2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-(4-chloro-3-methylphenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004510
2-(3,4-dichlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62703441
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916421) is 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Oc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is NHYRBBDKIICPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-7-10(4-6-12(8)15)20-14-11(13(16)18-19)5-3-9(2)17-14/h3-7,19H,1-2H3,(H2,16,18).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 291.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).