2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide

C7H8BrN3O — CID 130167206

IUPAC2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(Br)cn1)=NO
InChIInChI=1S/C7H8BrN3O/c8-5-1-2-6(10-4-5)3-7(9)11-12/h1-2,4,12H,3H2,(H2,9,11)
InChIKeyHISGFYGMWMXTJF-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.13
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide

2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide (PubChem CID 130167206) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
PubChem CID130167206
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(Br)cn1)=NO
InChIInChI=1S/C7H8BrN3O/c8-5-1-2-6(10-4-5)3-7(9)11-12/h1-2,4,12H,3H2,(H2,9,11)
InChIKeyHISGFYGMWMXTJF-UHFFFAOYSA-N
XLogP1.13
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 104797626
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 104797612
(5-bromo-2-pyridinyl)methylboronic acid
CID 104811315
1-(5-bromo-2-pyridinyl)pent-4-en-2-one
CID 116659555
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
2-(5-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 57364800
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 104797667
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
CID 104811394
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide (CID 130167206) is 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide is NC(Cc1ccc(Br)cn1)=NO.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide?
The InChIKey is HISGFYGMWMXTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c8-5-1-2-6(10-4-5)3-7(9)11-12/h1-2,4,12H,3H2,(H2,9,11).
What are the key properties of 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide?
2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide has a molecular weight of 230.06 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 130167206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).