4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine

C7H6ClN3 — CID 67965324

IUPAC4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine
SMILESCc1nnc2[nH]ccc2c1Cl
InChIInChI=1S/C7H6ClN3/c1-4-6(8)5-2-3-9-7(5)11-10-4/h2-3H,1H3,(H,9,11)
InChIKeyUYRYGDWWKMIDAX-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.92
Rot. Bonds

About 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine

4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine (PubChem CID 67965324) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine
PubChem CID67965324
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine
SMILESCc1nnc2[nH]ccc2c1Cl
InChIInChI=1S/C7H6ClN3/c1-4-6(8)5-2-3-9-7(5)11-10-4/h2-3H,1H3,(H,9,11)
InChIKeyUYRYGDWWKMIDAX-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine (CID 67965324) is 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine is Cc1nnc2[nH]ccc2c1Cl.
What is the InChIKey of 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is UYRYGDWWKMIDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-6(8)5-2-3-9-7(5)11-10-4/h2-3H,1H3,(H,9,11).
What are the key properties of 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine?
4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 167.60 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 67965324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).