3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine

C13H8Cl2N2O — CID 114734145

IUPAC3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
SMILESCc1cccc2cc(-c3cc(Cl)nnc3Cl)oc12
InChIInChI=1S/C13H8Cl2N2O/c1-7-3-2-4-8-5-10(18-12(7)8)9-6-11(14)16-17-13(9)15/h2-6H,1H3
InChIKeyCRWGLMLGRYNEAF-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.51
Rot. Bonds1

About 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine

3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine (PubChem CID 114734145) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
PubChem CID114734145
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine
SMILESCc1cccc2cc(-c3cc(Cl)nnc3Cl)oc12
InChIInChI=1S/C13H8Cl2N2O/c1-7-3-2-4-8-5-10(18-12(7)8)9-6-11(14)16-17-13(9)15/h2-6H,1H3
InChIKeyCRWGLMLGRYNEAF-UHFFFAOYSA-N
XLogP4.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 107989908
5,6-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734623
2-(7-methyl-1-benzofuran-2-yl)pyridin-4-amine
CID 114731846
1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732293
3-methyl-4-(7-methyl-1-benzofuran-2-yl)benzoic acid
CID 114731658
5-fluoro-2-(7-methyl-1-benzofuran-2-yl)benzaldehyde
CID 114077838
6-(7-methyl-1-benzofuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114734652
7-methyl-1-benzofuran-2-carbaldehyde
CID 10511153
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
3-(7-methyl-1-benzofuran-2-yl)-2,5-dihydro-1H-pyrrole
CID 114732983
5-(7-methyl-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734601

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine (CID 114734145) is 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine is Cc1cccc2cc(-c3cc(Cl)nnc3Cl)oc12.
What is the InChIKey of 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine?
The InChIKey is CRWGLMLGRYNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-7-3-2-4-8-5-10(18-12(7)8)9-6-11(14)16-17-13(9)15/h2-6H,1H3.
What are the key properties of 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine?
3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine has a molecular weight of 279.13 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(7-methyl-1-benzofuran-2-yl)pyridazine is sourced from PubChem (CID 114734145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).