1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

C13H11Cl2N3O2 — CID 107018071

IUPAC1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C13H11Cl2N3O2/c14-10-4-3-8(6-11(10)15)7-18-5-1-2-9(13(18)19)12(16)17-20/h1-6,20H,7H2,(H2,16,17)
InChIKeyPWUDESZJXAMLLV-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.30
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (PubChem CID 107018071) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
PubChem CID107018071
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C13H11Cl2N3O2/c14-10-4-3-8(6-11(10)15)7-18-5-1-2-9(13(18)19)12(16)17-20/h1-6,20H,7H2,(H2,16,17)
InChIKeyPWUDESZJXAMLLV-UHFFFAOYSA-N
XLogP2.30
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.30
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

N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30837067
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 54558156
1-[(3-chloro-4-fluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 103038423
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (CID 107018071) is 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is N/C(=N/O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The InChIKey is PWUDESZJXAMLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-10-4-3-8(6-11(10)15)7-18-5-1-2-9(13(18)19)12(16)17-20/h1-6,20H,7H2,(H2,16,17).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide has a molecular weight of 312.16 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).