1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide

C13H16BrN3O3 — CID 107730090

IUPAC1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrN3O3/c14-8-4-5-11(18)9(7-8)13(19)17-6-2-1-3-10(17)12(15)16-20/h4-5,7,10,18,20H,1-3,6H2,(H2,15,16)
InChIKeyWPFQSVZBTSBNBI-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.90
Rot. Bonds2

About 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide

1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 107730090) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID107730090
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrN3O3/c14-8-4-5-11(18)9(7-8)13(19)17-6-2-1-3-10(17)12(15)16-20/h4-5,7,10,18,20H,1-3,6H2,(H2,15,16)
InChIKeyWPFQSVZBTSBNBI-UHFFFAOYSA-N
XLogP1.90
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.90
H-Bond Donors ≤ 53
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-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114375250
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
(5-bromo-2-hydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955443
1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
1-(5-bromo-2-hydroxybenzoyl)pyrrolidine-2-carbonitrile
CID 107729572

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide (CID 107730090) is 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide is N/C(=N/O)C1CCCCN1C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is WPFQSVZBTSBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-8-4-5-11(18)9(7-8)13(19)17-6-2-1-3-10(17)12(15)16-20/h4-5,7,10,18,20H,1-3,6H2,(H2,15,16).
What are the key properties of 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 342.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 107730090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).