4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one

C14H15ClN2O2 — CID 82444490

IUPAC4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CCl)c(=O)n(C)n2)cc1C
InChIInChI=1S/C14H15ClN2O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15)14(18)17(2)16-12/h4-7H,8H2,1-3H3
InChIKeyBVUYREZCERRRDW-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.50
Rot. Bonds3

About 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one

4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one (PubChem CID 82444490) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
PubChem CID82444490
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2cc(CCl)c(=O)n(C)n2)cc1C
InChIInChI=1S/C14H15ClN2O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15)14(18)17(2)16-12/h4-7H,8H2,1-3H3
InChIKeyBVUYREZCERRRDW-UHFFFAOYSA-N
XLogP2.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxy-3-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl chloride
CID 82444501
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
6-(3,4-dimethylphenyl)-4-[(2-methoxyethylamino)methyl]-2-methylpyridazin-3-one
CID 82443932
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
2-(2-methoxyethyl)-6-(4-methoxy-3-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447663
4-(butylaminomethyl)-6-(3,4-dimethylphenyl)-2-methylpyridazin-3-one
CID 82443929
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467631
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
4-(chloromethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446854
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 7659900

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one (CID 82444490) is 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one is COc1ccc(-c2cc(CCl)c(=O)n(C)n2)cc1C.
What is the InChIKey of 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one?
The InChIKey is BVUYREZCERRRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-6-10(4-5-13(9)19-3)12-7-11(8-15)14(18)17(2)16-12/h4-7H,8H2,1-3H3.
What are the key properties of 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one?
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one has a molecular weight of 278.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).