2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one

C10H7Cl2N3O — CID 116519203

IUPAC2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-8-4-9(12)13-5-7(8)6-15-10(16)2-1-3-14-15/h1-5H,6H2
InChIKeySJTFBXXETOCFBU-UHFFFAOYSA-N
MW256.09 g/mol
LogP1.99
Rot. Bonds2

About 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one

2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one (PubChem CID 116519203) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
PubChem CID116519203
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-8-4-9(12)13-5-7(8)6-15-10(16)2-1-3-14-15/h1-5H,6H2
InChIKeySJTFBXXETOCFBU-UHFFFAOYSA-N
XLogP1.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one (CID 116519203) is 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one is O=c1cccnn1Cc1cnc(Cl)cc1Cl.
What is the InChIKey of 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is SJTFBXXETOCFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-8-4-9(12)13-5-7(8)6-15-10(16)2-1-3-14-15/h1-5H,6H2.
What are the key properties of 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one?
2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one has a molecular weight of 256.09 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-3-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 116519203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).