(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone

C12H8Cl2N2O2 — CID 14143073

IUPAC(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H8Cl2N2O2/c1-18-8-4-2-7(3-5-8)11(17)9-6-10(13)15-16-12(9)14/h2-6H,1H3
InChIKeyOUSXXUJZFAXMEN-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.02
Rot. Bonds3

About (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone

(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone (PubChem CID 14143073) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
PubChem CID14143073
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C12H8Cl2N2O2/c1-18-8-4-2-7(3-5-8)11(17)9-6-10(13)15-16-12(9)14/h2-6H,1H3
InChIKeyOUSXXUJZFAXMEN-UHFFFAOYSA-N
XLogP3.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(3-amino-5-chloro-2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
CID 88743414
3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
CID 70554532
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone (CID 14143073) is (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Cl)nnc2Cl)cc1.
What is the InChIKey of (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone?
The InChIKey is OUSXXUJZFAXMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c1-18-8-4-2-7(3-5-8)11(17)9-6-10(13)15-16-12(9)14/h2-6H,1H3.
What are the key properties of (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone?
(3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone has a molecular weight of 283.11 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyridazin-4-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 14143073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).