4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine

C11H12Cl2N2 — CID 18364946

IUPAC4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine
SMILESClc1cc(C23CCC(CC2)C3)c(Cl)nn1
InChIInChI=1S/C11H12Cl2N2/c12-9-5-8(10(13)15-14-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2
InChIKeyHBBNVFCZYWWYCM-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.62
Rot. Bonds1

About 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine

4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine (PubChem CID 18364946) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine
PubChem CID18364946
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine
SMILESClc1cc(C23CCC(CC2)C3)c(Cl)nn1
InChIInChI=1S/C11H12Cl2N2/c12-9-5-8(10(13)15-14-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2
InChIKeyHBBNVFCZYWWYCM-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Butyl-3,6-dichloropyridazine
CID 89846
Pyridazine, 3,6-dichloro-4-(2-chloro-1,1-dimethylethyl)-
CID 163783
Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-
CID 189332
3,6-Dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine
CID 14349829
3,6-Dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine
CID 22609918
3,6-Dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
CID 22609930
3,6-Dichloro-4-[4-(fluoromethyl)cyclohex-3-en-1-yl]pyridazine
CID 87417031
3-Chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine
CID 146377379
3,6-Dichloro-4-(3,3-difluorocyclopentyl)pyridazine
CID 147740993
3,6-Dichloro-4-(1-fluorocyclopentyl)pyridazine
CID 155268287
3,6-Dichloro-4-cyclohex-2-en-1-ylpyridazine
CID 129110748
3,6-Dichloro-4-(4-chloro-2-methylbutan-2-yl)pyridazine
CID 180241

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine?
The IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine (CID 18364946) is 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine.
What is the SMILES notation for 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine?
The canonical SMILES for 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine is Clc1cc(C23CCC(CC2)C3)c(Cl)nn1.
What is the InChIKey of 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine?
The InChIKey is HBBNVFCZYWWYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c12-9-5-8(10(13)15-14-9)11-3-1-7(6-11)2-4-11/h5,7H,1-4,6H2.
What are the key properties of 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine?
4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine has a molecular weight of 243.14 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.1]heptanyl)-3,6-dichloropyridazine is sourced from PubChem (CID 18364946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).