2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one

C10H7Cl2N3O — CID 99844145

IUPAC2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-4-8(12)9(13-5-7)6-15-10(16)2-1-3-14-15/h1-5H,6H2
InChIKeyZYGRONTVBBHPLH-UHFFFAOYSA-N
MW256.09 g/mol
LogP1.99
Rot. Bonds2

About 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one

2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one (PubChem CID 99844145) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one
PubChem CID99844145
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ncc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-7-4-8(12)9(13-5-7)6-15-10(16)2-1-3-14-15/h1-5H,6H2
InChIKeyZYGRONTVBBHPLH-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one (CID 99844145) is 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one is O=c1cccnn1Cc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one?
The InChIKey is ZYGRONTVBBHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-7-4-8(12)9(13-5-7)6-15-10(16)2-1-3-14-15/h1-5H,6H2.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one?
2-[(3,5-dichloro-2-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-[(3,5-dichloro-2-pyridinyl)methyl]pyridazin-3-one is sourced from PubChem (CID 99844145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).