3-benzyl-6-chloropyridazine

C11H9ClN2 — CID 6404535

IUPAC3-benzyl-6-chloropyridazine
SMILESClc1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C11H9ClN2/c12-11-7-6-10(13-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLTTLFJNMPWCXRV-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.72
Rot. Bonds2

About 3-benzyl-6-chloropyridazine

3-benzyl-6-chloropyridazine (PubChem CID 6404535) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-benzyl-6-chloropyridazine.

Molecular Properties

Compound Name3-benzyl-6-chloropyridazine
PubChem CID6404535
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name3-benzyl-6-chloropyridazine
SMILESClc1ccc(Cc2ccccc2)nn1
InChIInChI=1S/C11H9ClN2/c12-11-7-6-10(13-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyLTTLFJNMPWCXRV-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloropyridazine?
The IUPAC name of 3-benzyl-6-chloropyridazine (CID 6404535) is 3-benzyl-6-chloropyridazine.
What is the SMILES notation for 3-benzyl-6-chloropyridazine?
The canonical SMILES for 3-benzyl-6-chloropyridazine is Clc1ccc(Cc2ccccc2)nn1.
What is the InChIKey of 3-benzyl-6-chloropyridazine?
The InChIKey is LTTLFJNMPWCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-7-6-10(13-14-11)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-benzyl-6-chloropyridazine?
3-benzyl-6-chloropyridazine has a molecular weight of 204.66 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloropyridazine is sourced from PubChem (CID 6404535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).