5-chloro-3-phenylmethoxypyridazine

C11H9ClN2O — CID 129075145

IUPAC5-chloro-3-phenylmethoxypyridazine
SMILESClc1cnnc(OCc2ccccc2)c1
InChIInChI=1S/C11H9ClN2O/c12-10-6-11(14-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQIZQSTUGMMRHQB-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-3-phenylmethoxypyridazine

5-chloro-3-phenylmethoxypyridazine (PubChem CID 129075145) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-chloro-3-phenylmethoxypyridazine.

Molecular Properties

Compound Name5-chloro-3-phenylmethoxypyridazine
PubChem CID129075145
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name5-chloro-3-phenylmethoxypyridazine
SMILESClc1cnnc(OCc2ccccc2)c1
InChIInChI=1S/C11H9ClN2O/c12-10-6-11(14-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQIZQSTUGMMRHQB-UHFFFAOYSA-N
XLogP2.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylmethoxypyridazine?
The IUPAC name of 5-chloro-3-phenylmethoxypyridazine (CID 129075145) is 5-chloro-3-phenylmethoxypyridazine.
What is the SMILES notation for 5-chloro-3-phenylmethoxypyridazine?
The canonical SMILES for 5-chloro-3-phenylmethoxypyridazine is Clc1cnnc(OCc2ccccc2)c1.
What is the InChIKey of 5-chloro-3-phenylmethoxypyridazine?
The InChIKey is QIZQSTUGMMRHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-6-11(14-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-chloro-3-phenylmethoxypyridazine?
5-chloro-3-phenylmethoxypyridazine has a molecular weight of 220.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenylmethoxypyridazine is sourced from PubChem (CID 129075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).