3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide

C8H9Cl2N3O — CID 83967830

IUPAC3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide
SMILES[H]/N=C(\N)CCn1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O/c9-5-3-6(10)8(14)13(4-5)2-1-7(11)12/h3-4H,1-2H2,(H3,11,12)
InChIKeyVVBCLKVYDFKDTJ-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.48
Rot. Bonds3

About 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide

3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide (PubChem CID 83967830) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide.

Molecular Properties

Compound Name3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide
PubChem CID83967830
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide
SMILES[H]/N=C(\N)CCn1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C8H9Cl2N3O/c9-5-3-6(10)8(14)13(4-5)2-1-7(11)12/h3-4H,1-2H2,(H3,11,12)
InChIKeyVVBCLKVYDFKDTJ-UHFFFAOYSA-N
XLogP1.48
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide?
The IUPAC name of 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide (CID 83967830) is 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide.
What is the SMILES notation for 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide?
The canonical SMILES for 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide is [H]/N=C(\N)CCn1cc(Cl)cc(Cl)c1=O.
What is the InChIKey of 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide?
The InChIKey is VVBCLKVYDFKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c9-5-3-6(10)8(14)13(4-5)2-1-7(11)12/h3-4H,1-2H2,(H3,11,12).
What are the key properties of 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide?
3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide has a molecular weight of 234.09 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide is sourced from PubChem (CID 83967830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).