3-chloro-4-(2,2-dimethylpropyl)pyridazine

C9H13ClN2 — CID 59574217

IUPAC3-chloro-4-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1ccnnc1Cl
InChIInChI=1S/C9H13ClN2/c1-9(2,3)6-7-4-5-11-12-8(7)10/h4-5H,6H2,1-3H3
InChIKeyLQAYLWKQGNMJDA-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.72
Rot. Bonds1

About 3-chloro-4-(2,2-dimethylpropyl)pyridazine

3-chloro-4-(2,2-dimethylpropyl)pyridazine (PubChem CID 59574217) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-chloro-4-(2,2-dimethylpropyl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(2,2-dimethylpropyl)pyridazine
PubChem CID59574217
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-chloro-4-(2,2-dimethylpropyl)pyridazine
SMILESCC(C)(C)Cc1ccnnc1Cl
InChIInChI=1S/C9H13ClN2/c1-9(2,3)6-7-4-5-11-12-8(7)10/h4-5H,6H2,1-3H3
InChIKeyLQAYLWKQGNMJDA-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Butyl-3,6-dichloropyridazine
CID 89846
4-tert-Butylpyridazine
CID 23383483
4-Butyl-pyridazin
CID 91513469
3-Chloro-5-(pentafluoroethyl)pyridazine
CID 131444079
4-Isopropylpyridazine
CID 22951092
3-Chloro-4-benzylpyridazine
CID 71777679
Pyridazine, 3-chloro-4-(2-chloro-1,1-dimethylethyl)-
CID 183701
Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-
CID 189332
3,6-Dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
CID 22609930
4-(3,3-Dimethylbutan-2-yl)-3-fluoropyridazine
CID 59574677
5-(2,2-Dimethylpropyl)-3-fluoropyridazine
CID 59574766
3-Fluoro-5-propylpyridazine
CID 89010408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-dimethylpropyl)pyridazine?
The IUPAC name of 3-chloro-4-(2,2-dimethylpropyl)pyridazine (CID 59574217) is 3-chloro-4-(2,2-dimethylpropyl)pyridazine.
What is the SMILES notation for 3-chloro-4-(2,2-dimethylpropyl)pyridazine?
The canonical SMILES for 3-chloro-4-(2,2-dimethylpropyl)pyridazine is CC(C)(C)Cc1ccnnc1Cl.
What is the InChIKey of 3-chloro-4-(2,2-dimethylpropyl)pyridazine?
The InChIKey is LQAYLWKQGNMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-9(2,3)6-7-4-5-11-12-8(7)10/h4-5H,6H2,1-3H3.
What are the key properties of 3-chloro-4-(2,2-dimethylpropyl)pyridazine?
3-chloro-4-(2,2-dimethylpropyl)pyridazine has a molecular weight of 184.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-dimethylpropyl)pyridazine is sourced from PubChem (CID 59574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).