1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

C13H12BrN3O2 — CID 107018015

IUPAC1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H12BrN3O2/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(13(17)18)12(15)16-19/h1-7,19H,8H2,(H2,15,16)
InChIKeyOUGZQDHXNSPAFV-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide

1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (PubChem CID 107018015) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
PubChem CID107018015
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
SMILESN/C(=N/O)c1cccn(Cc2cccc(Br)c2)c1=O
InChIInChI=1S/C13H12BrN3O2/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(13(17)18)12(15)16-19/h1-7,19H,8H2,(H2,15,16)
InChIKeyOUGZQDHXNSPAFV-UHFFFAOYSA-N
XLogP1.75
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.75
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

1-[(3,4-dichlorophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018071
N'-hydroxy-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 107018124
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
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018025
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
1-[(3-bromo-5-fluorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017898
N'-hydroxy-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carboximidamide
CID 107017971
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
1-[(3-bromophenyl)methyl]-2-chloropyrrole
CID 141433576
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide (CID 107018015) is 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is N/C(=N/O)c1cccn(Cc2cccc(Br)c2)c1=O.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
The InChIKey is OUGZQDHXNSPAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(13(17)18)12(15)16-19/h1-7,19H,8H2,(H2,15,16).
What are the key properties of 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide?
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide has a molecular weight of 322.16 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107018015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).