3-chloro-9H-indeno[2,1-c]pyridazine

C11H7ClN2 — CID 6410597

IUPAC3-chloro-9H-indeno[2,1-c]pyridazine
SMILESClc1cc2c(nn1)Cc1ccccc1-2
InChIInChI=1S/C11H7ClN2/c12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-14-11/h1-4,6H,5H2
InChIKeyAXWBHIJBRSSAKJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.70
Rot. Bonds

About 3-chloro-9H-indeno[2,1-c]pyridazine

3-chloro-9H-indeno[2,1-c]pyridazine (PubChem CID 6410597) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-chloro-9H-indeno[2,1-c]pyridazine.

Molecular Properties

Compound Name3-chloro-9H-indeno[2,1-c]pyridazine
PubChem CID6410597
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name3-chloro-9H-indeno[2,1-c]pyridazine
SMILESClc1cc2c(nn1)Cc1ccccc1-2
InChIInChI=1S/C11H7ClN2/c12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-14-11/h1-4,6H,5H2
InChIKeyAXWBHIJBRSSAKJ-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-9H-indeno[2,1-c]pyridazine?
The IUPAC name of 3-chloro-9H-indeno[2,1-c]pyridazine (CID 6410597) is 3-chloro-9H-indeno[2,1-c]pyridazine.
What is the SMILES notation for 3-chloro-9H-indeno[2,1-c]pyridazine?
The canonical SMILES for 3-chloro-9H-indeno[2,1-c]pyridazine is Clc1cc2c(nn1)Cc1ccccc1-2.
What is the InChIKey of 3-chloro-9H-indeno[2,1-c]pyridazine?
The InChIKey is AXWBHIJBRSSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-14-11/h1-4,6H,5H2.
What are the key properties of 3-chloro-9H-indeno[2,1-c]pyridazine?
3-chloro-9H-indeno[2,1-c]pyridazine has a molecular weight of 202.64 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9H-indeno[2,1-c]pyridazine is sourced from PubChem (CID 6410597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).