3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine

C10H10Cl2N2 — CID 129110748

IUPAC3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine
SMILESClc1cc(C2C=CCCC2)c(Cl)nn1
InChIInChI=1S/C10H10Cl2N2/c11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7/h2,4,6-7H,1,3,5H2
InChIKeyMOVACWKGFBOKKZ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.61
Rot. Bonds1

About 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine

3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine (PubChem CID 129110748) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine
PubChem CID129110748
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine
SMILESClc1cc(C2C=CCCC2)c(Cl)nn1
InChIInChI=1S/C10H10Cl2N2/c11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7/h2,4,6-7H,1,3,5H2
InChIKeyMOVACWKGFBOKKZ-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
2-[(1R)-cyclohex-2-en-1-yl]aniline
CID 88997011
4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine
CID 46868231
4-cyclohex-2-en-1-ylpyridine
CID 12718499
4-cyclohex-2-en-1-ylaniline
CID 3026820
3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine
CID 166999762
5-tert-butyl-3-cyclohex-2-en-1-ylbenzene-1,2-diol
CID 46703000
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
CID 102865921
3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
CID 169288678
trans-(1R,2R)-2-N-(3,6-dichloropyridazin-4-yl)cyclohexane-1,2-diamine
CID 102738784
5-[(1S)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)-1,3-benzodioxole
CID 164669327
2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
CID 125485528

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine?
The IUPAC name of 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine (CID 129110748) is 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine?
The canonical SMILES for 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine is Clc1cc(C2C=CCCC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine?
The InChIKey is MOVACWKGFBOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c11-9-6-8(10(12)14-13-9)7-4-2-1-3-5-7/h2,4,6-7H,1,3,5H2.
What are the key properties of 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine?
3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine has a molecular weight of 229.11 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine is sourced from PubChem (CID 129110748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).