4,5-dichloro-2-pyridin-3-ylpyridazin-3-one

C9H5Cl2N3O — CID 130501966

IUPAC4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cccnc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H
InChIKeyWJTWTKHMMHHBOM-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.93
Rot. Bonds1

About 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one

4,5-dichloro-2-pyridin-3-ylpyridazin-3-one (PubChem CID 130501966) has the molecular formula C9H5Cl2N3O and a molecular weight of 242.07 g/mol. Its IUPAC name is 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
PubChem CID130501966
Molecular FormulaC9H5Cl2N3O
Molecular Weight242.07 g/mol
Exact Mass240.98
IUPAC Name4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1cccnc1
InChIInChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H
InChIKeyWJTWTKHMMHHBOM-UHFFFAOYSA-N
XLogP1.93
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(5-chloro-4-methylpyrazol-1-yl)pyridine
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4,5-dichloro-2-pyrimidin-4-ylpyridazin-3-one
CID 79823096
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
CID 18983164
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
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(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
CID 67499904
5-acetyl-4-phenyl-2-pyridin-3-ylpyridazin-3-one
CID 118937995
4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
CID 2798199
3-chloro-2-pyridin-3-ylindazole
CID 134094821
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one;4,5-diiodo-2-(3-methylphenyl)pyridazin-3-one;5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 161039142
4,5-dichloro-2-[3-chloro-4-(cyclopent-3-en-1-ylamino)phenyl]pyridazin-3-one
CID 133362231

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one (CID 130501966) is 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1cccnc1.
What is the InChIKey of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
The InChIKey is WJTWTKHMMHHBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O/c10-7-5-13-14(9(15)8(7)11)6-2-1-3-12-4-6/h1-5H.
What are the key properties of 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one?
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one has a molecular weight of 242.07 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 130501966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).