4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one

C11H8Cl2N2O2 — CID 779863

IUPAC4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one
SMILESCOc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-17-10-8(12)9(13)11(16)15(14-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDMXHASBZHCCQSD-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.55
Rot. Bonds2

About 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one

4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one (PubChem CID 779863) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one
PubChem CID779863
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one
SMILESCOc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-17-10-8(12)9(13)11(16)15(14-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDMXHASBZHCCQSD-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 72813
CID 72813
CID 248680
CID 248680
CID 77298
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CID 561606
CID 561606
CID 127050747
CID 127050747
CID 561639
CID 561639
CID 44246304
CID 44246304
CID 824731
CID 824731
CID 349842
CID 349842
CID 227599
CID 227599
CID 24997711
CID 24997711
CID 227601
CID 227601

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one?
The IUPAC name of 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one (CID 779863) is 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one is COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one?
The InChIKey is DMXHASBZHCCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-17-10-8(12)9(13)11(16)15(14-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one?
4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one has a molecular weight of 271.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methoxy-2-phenylpyridazin-3-one is sourced from PubChem (CID 779863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).