3-tert-butyl-4-chloro-5-methoxypyridazine

C9H13ClN2O — CID 146377529

IUPAC3-tert-butyl-4-chloro-5-methoxypyridazine
SMILESCOc1cnnc(C(C)(C)C)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)8-7(10)6(13-4)5-11-12-8/h5H,1-4H3
InChIKeyQEHPCRHPBZAPKL-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.44
Rot. Bonds1

About 3-tert-butyl-4-chloro-5-methoxypyridazine

3-tert-butyl-4-chloro-5-methoxypyridazine (PubChem CID 146377529) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-tert-butyl-4-chloro-5-methoxypyridazine.

Molecular Properties

Compound Name3-tert-butyl-4-chloro-5-methoxypyridazine
PubChem CID146377529
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-tert-butyl-4-chloro-5-methoxypyridazine
SMILESCOc1cnnc(C(C)(C)C)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)8-7(10)6(13-4)5-11-12-8/h5H,1-4H3
InChIKeyQEHPCRHPBZAPKL-UHFFFAOYSA-N
XLogP2.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-chloro-5-methoxypyridazine?
The IUPAC name of 3-tert-butyl-4-chloro-5-methoxypyridazine (CID 146377529) is 3-tert-butyl-4-chloro-5-methoxypyridazine.
What is the SMILES notation for 3-tert-butyl-4-chloro-5-methoxypyridazine?
The canonical SMILES for 3-tert-butyl-4-chloro-5-methoxypyridazine is COc1cnnc(C(C)(C)C)c1Cl.
What is the InChIKey of 3-tert-butyl-4-chloro-5-methoxypyridazine?
The InChIKey is QEHPCRHPBZAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(2,3)8-7(10)6(13-4)5-11-12-8/h5H,1-4H3.
What are the key properties of 3-tert-butyl-4-chloro-5-methoxypyridazine?
3-tert-butyl-4-chloro-5-methoxypyridazine has a molecular weight of 200.67 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-chloro-5-methoxypyridazine is sourced from PubChem (CID 146377529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).