3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine

C13H9ClN2O — CID 114734095

IUPAC3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
SMILESCc1ccc2oc(-c3ccc(Cl)nn3)cc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-2-4-11-9(6-8)7-12(17-11)10-3-5-13(14)16-15-10/h2-7H,1H3
InChIKeyDAKIQBQWEOCKIL-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.85
Rot. Bonds1

About 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine

3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine (PubChem CID 114734095) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
PubChem CID114734095
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
SMILESCc1ccc2oc(-c3ccc(Cl)nn3)cc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-2-4-11-9(6-8)7-12(17-11)10-3-5-13(14)16-15-10/h2-7H,1H3
InChIKeyDAKIQBQWEOCKIL-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-2-propylpyrimidine
CID 114734108
2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
CID 114734121
5-chloro-4-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 105371620
4-chloro-6-(5-methyl-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
CID 83240225
1-[2-chloro-4-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732238
5-chloro-3-(5-methyl-1-benzofuran-2-yl)pyridin-2-amine
CID 114733092
4-chloro-5-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine
CID 114734113
4-chloro-2-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidine-5-carbaldehyde
CID 114734107
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine?
The IUPAC name of 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine (CID 114734095) is 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine is Cc1ccc2oc(-c3ccc(Cl)nn3)cc2c1.
What is the InChIKey of 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine?
The InChIKey is DAKIQBQWEOCKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-2-4-11-9(6-8)7-12(17-11)10-3-5-13(14)16-15-10/h2-7H,1H3.
What are the key properties of 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine?
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine has a molecular weight of 244.68 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine is sourced from PubChem (CID 114734095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).