2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide

C8H8Cl2N4O2 — CID 136660056

IUPAC2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)C(Cl)Cl)cn1
InChIInChI=1S/C8H8Cl2N4O2/c9-6(10)8(15)13-4-1-2-5(12-3-4)7(11)14-16/h1-3,6,16H,(H2,11,14)(H,13,15)
InChIKeyAHSIIWBFHCMLIU-UHFFFAOYSA-N
MW263.08 g/mol
LogP0.92
Rot. Bonds3

About 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide

2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide (PubChem CID 136660056) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
PubChem CID136660056
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Name2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)C(Cl)Cl)cn1
InChIInChI=1S/C8H8Cl2N4O2/c9-6(10)8(15)13-4-1-2-5(12-3-4)7(11)14-16/h1-3,6,16H,(H2,11,14)(H,13,15)
InChIKeyAHSIIWBFHCMLIU-UHFFFAOYSA-N
XLogP0.92
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide (CID 136660056) is 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide is NC(=NO)c1ccc(NC(=O)C(Cl)Cl)cn1.
What is the InChIKey of 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide?
The InChIKey is AHSIIWBFHCMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O2/c9-6(10)8(15)13-4-1-2-5(12-3-4)7(11)14-16/h1-3,6,16H,(H2,11,14)(H,13,15).
What are the key properties of 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide?
2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide has a molecular weight of 263.08 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[6-(N'-hydroxycarbamimidoyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 136660056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).