3-bromo-N'-hydroxycinnoline-4-carboximidamide

C9H7BrN4O — CID 176622769

IUPAC3-bromo-N'-hydroxycinnoline-4-carboximidamide
SMILESNC(=NO)c1c(Br)nnc2ccccc12
InChIInChI=1S/C9H7BrN4O/c10-8-7(9(11)14-15)5-3-1-2-4-6(5)12-13-8/h1-4,15H,(H2,11,14)
InChIKeyXKSHPLXCUOXOAS-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.49
Rot. Bonds1

About 3-bromo-N'-hydroxycinnoline-4-carboximidamide

3-bromo-N'-hydroxycinnoline-4-carboximidamide (PubChem CID 176622769) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 3-bromo-N'-hydroxycinnoline-4-carboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxycinnoline-4-carboximidamide
PubChem CID176622769
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name3-bromo-N'-hydroxycinnoline-4-carboximidamide
SMILESNC(=NO)c1c(Br)nnc2ccccc12
InChIInChI=1S/C9H7BrN4O/c10-8-7(9(11)14-15)5-3-1-2-4-6(5)12-13-8/h1-4,15H,(H2,11,14)
InChIKeyXKSHPLXCUOXOAS-UHFFFAOYSA-N
XLogP1.49
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.49
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-N',3-N',1,4-tetrahydroxynaphthalene-2,3-dicarboximidamide
CID 135496562
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-bromo-N'-hydroxy-6-phenylsulfanylbenzenecarboximidamide
CID 114884262
2-cinnolin-4-yl-N'-hydroxyethanimidamide
CID 83881146
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969995
N'-hydroxybenzenecarboximidamide
CID 142861747
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
4-[2-(2-aminoquinolin-4-yl)ethynyl]-N'-hydroxybenzenecarboximidamide
CID 138724514

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxycinnoline-4-carboximidamide?
The IUPAC name of 3-bromo-N'-hydroxycinnoline-4-carboximidamide (CID 176622769) is 3-bromo-N'-hydroxycinnoline-4-carboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxycinnoline-4-carboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxycinnoline-4-carboximidamide is NC(=NO)c1c(Br)nnc2ccccc12.
What is the InChIKey of 3-bromo-N'-hydroxycinnoline-4-carboximidamide?
The InChIKey is XKSHPLXCUOXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-8-7(9(11)14-15)5-3-1-2-4-6(5)12-13-8/h1-4,15H,(H2,11,14).
What are the key properties of 3-bromo-N'-hydroxycinnoline-4-carboximidamide?
3-bromo-N'-hydroxycinnoline-4-carboximidamide has a molecular weight of 267.09 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxycinnoline-4-carboximidamide is sourced from PubChem (CID 176622769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).