1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

C11H10ClN3O2S — CID 107018025

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2ccc(Cl)s2)c1=O
InChIInChI=1S/C11H10ClN3O2S/c12-9-4-3-7(18-9)6-15-5-1-2-8(11(15)16)10(13)14-17/h1-5,17H,6H2,(H2,13,14)
InChIKeyUQHSGAYNFFJZDD-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.71
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (PubChem CID 107018025) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
PubChem CID107018025
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2ccc(Cl)s2)c1=O
InChIInChI=1S/C11H10ClN3O2S/c12-9-4-3-7(18-9)6-15-5-1-2-8(11(15)16)10(13)14-17/h1-5,17H,6H2,(H2,13,14)
InChIKeyUQHSGAYNFFJZDD-UHFFFAOYSA-N
XLogP1.71
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
N'-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboximidamide
CID 107017955
N'-hydroxy-2-oxo-1-[(2,4,6-trimethylphenyl)methyl]pyridine-3-carboximidamide
CID 107017990
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
N'-hydroxy-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-oxopyridine-3-carboximidamide
CID 107017979
N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
N'-hydroxy-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107018140
1-(2-ethylhexyl)-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107017959

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (CID 107018025) is 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is N/C(=N/O)c1cccn(Cc2ccc(Cl)s2)c1=O.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The InChIKey is UQHSGAYNFFJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-9-4-3-7(18-9)6-15-5-1-2-8(11(15)16)10(13)14-17/h1-5,17H,6H2,(H2,13,14).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide has a molecular weight of 283.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).