3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide

C10H15BrN4O — CID 76910453

IUPAC3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)c1ncccc1Br
InChIInChI=1S/C10H15BrN4O/c1-2-15(7-5-9(12)14-16)10-8(11)4-3-6-13-10/h3-4,6,16H,2,5,7H2,1H3,(H2,12,14)
InChIKeyIVCJHWFFUPXAJX-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.81
Rot. Bonds5

About 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide

3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 76910453) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
PubChem CID76910453
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)c1ncccc1Br
InChIInChI=1S/C10H15BrN4O/c1-2-15(7-5-9(12)14-16)10-8(11)4-3-6-13-10/h3-4,6,16H,2,5,7H2,1H3,(H2,12,14)
InChIKeyIVCJHWFFUPXAJX-UHFFFAOYSA-N
XLogP1.81
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.81
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide (CID 76910453) is 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)c1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is IVCJHWFFUPXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-2-15(7-5-9(12)14-16)10-8(11)4-3-6-13-10/h3-4,6,16H,2,5,7H2,1H3,(H2,12,14).
What are the key properties of 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide?
3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 287.16 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76910453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).