1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

C12H15BrN4O2 — CID 107525417

IUPAC1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H15BrN4O2/c13-9-4-1-5-15-10(9)12(18)17-6-2-3-8(7-17)11(14)16-19/h1,4-5,8,19H,2-3,6-7H2,(H2,14,16)
InChIKeyYNUINBZTXDQVMJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide

1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 107525417) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID107525417
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESN/C(=N/O)C1CCCN(C(=O)c2ncccc2Br)C1
InChIInChI=1S/C12H15BrN4O2/c13-9-4-1-5-15-10(9)12(18)17-6-2-3-8(7-17)11(14)16-19/h1,4-5,8,19H,2-3,6-7H2,(H2,14,16)
InChIKeyYNUINBZTXDQVMJ-UHFFFAOYSA-N
XLogP1.44
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.44
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

(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
[3-(bromomethyl)piperidin-1-yl]-(3-bromo-2-pyridinyl)methanone
CID 107526191
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
1-(5-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041584
1-(4,5-dibromothiophene-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 80538896
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
(3-bromo-2-pyridinyl)-[(1S,6S)-6-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 129480875
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide (CID 107525417) is 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is N/C(=N/O)C1CCCN(C(=O)c2ncccc2Br)C1.
What is the InChIKey of 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is YNUINBZTXDQVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c13-9-4-1-5-15-10(9)12(18)17-6-2-3-8(7-17)11(14)16-19/h1,4-5,8,19H,2-3,6-7H2,(H2,14,16).
What are the key properties of 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 327.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 107525417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).