3-chloropyrrolo[1,2-b]pyridazine

C7H5ClN2 — CID 135308006

IUPAC3-chloropyrrolo[1,2-b]pyridazine
SMILESClc1cnn2cccc2c1
InChIInChI=1S/C7H5ClN2/c8-6-4-7-2-1-3-10(7)9-5-6/h1-5H
InChIKeyZBDQZLUJMOCNAG-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.99
Rot. Bonds

About 3-chloropyrrolo[1,2-b]pyridazine

3-chloropyrrolo[1,2-b]pyridazine (PubChem CID 135308006) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 3-chloropyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-chloropyrrolo[1,2-b]pyridazine
PubChem CID135308006
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name3-chloropyrrolo[1,2-b]pyridazine
SMILESClc1cnn2cccc2c1
InChIInChI=1S/C7H5ClN2/c8-6-4-7-2-1-3-10(7)9-5-6/h1-5H
InChIKeyZBDQZLUJMOCNAG-UHFFFAOYSA-N
XLogP1.99
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloropyrrolo[1,2-b]pyridazine?
The IUPAC name of 3-chloropyrrolo[1,2-b]pyridazine (CID 135308006) is 3-chloropyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 3-chloropyrrolo[1,2-b]pyridazine?
The canonical SMILES for 3-chloropyrrolo[1,2-b]pyridazine is Clc1cnn2cccc2c1.
What is the InChIKey of 3-chloropyrrolo[1,2-b]pyridazine?
The InChIKey is ZBDQZLUJMOCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-6-4-7-2-1-3-10(7)9-5-6/h1-5H.
What are the key properties of 3-chloropyrrolo[1,2-b]pyridazine?
3-chloropyrrolo[1,2-b]pyridazine has a molecular weight of 152.58 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 135308006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).