3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide

C13H11Cl2N3O2 — CID 136739641

IUPAC3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCc2ccccc2Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-10-4-2-1-3-8(10)7-20-13-11(15)9(5-6-17-13)12(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyIKARCNZHLCTVBK-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.06
Rot. Bonds4

About 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739641) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739641
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCc2ccccc2Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3O2/c14-10-4-2-1-3-8(10)7-20-13-11(15)9(5-6-17-13)12(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyIKARCNZHLCTVBK-UHFFFAOYSA-N
XLogP3.06
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.06
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-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
3-chloro-2-(2-cyclobutylethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 137011760
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
CID 80517381
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
3-[(2-chlorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117566
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide (CID 136739641) is 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(OCc2ccccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is IKARCNZHLCTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-10-4-2-1-3-8(10)7-20-13-11(15)9(5-6-17-13)12(16)18-19/h1-6,19H,7H2,(H2,16,18).
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 312.16 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).