3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine

C12H9ClN2O — CID 79374203

IUPAC3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine
SMILESCOc1ccc2c(c1)-c1nnc(Cl)cc1C2
InChIInChI=1S/C12H9ClN2O/c1-16-9-3-2-7-4-8-5-11(13)14-15-12(8)10(7)6-9/h2-3,5-6H,4H2,1H3
InChIKeyLWWUBMLXLVRTFL-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.71
Rot. Bonds1

About 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine

3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine (PubChem CID 79374203) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine.

Molecular Properties

Compound Name3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine
PubChem CID79374203
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine
SMILESCOc1ccc2c(c1)-c1nnc(Cl)cc1C2
InChIInChI=1S/C12H9ClN2O/c1-16-9-3-2-7-4-8-5-11(13)14-15-12(8)10(7)6-9/h2-3,5-6H,4H2,1H3
InChIKeyLWWUBMLXLVRTFL-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine?
The IUPAC name of 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine (CID 79374203) is 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine.
What is the SMILES notation for 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine?
The canonical SMILES for 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine is COc1ccc2c(c1)-c1nnc(Cl)cc1C2.
What is the InChIKey of 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine?
The InChIKey is LWWUBMLXLVRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-16-9-3-2-7-4-8-5-11(13)14-15-12(8)10(7)6-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine?
3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine has a molecular weight of 232.67 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine is sourced from PubChem (CID 79374203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).