5-tert-butyl-3-chloropyridazine

C8H11ClN2 — CID 138722408

IUPAC5-tert-butyl-3-chloropyridazine
SMILESCC(C)(C)c1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-10-5-6/h4-5H,1-3H3
InChIKeyRNJFDCDARPHLGC-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.43
Rot. Bonds

About 5-tert-butyl-3-chloropyridazine

5-tert-butyl-3-chloropyridazine (PubChem CID 138722408) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 5-tert-butyl-3-chloropyridazine.

Molecular Properties

Compound Name5-tert-butyl-3-chloropyridazine
PubChem CID138722408
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name5-tert-butyl-3-chloropyridazine
SMILESCC(C)(C)c1cnnc(Cl)c1
InChIInChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-10-5-6/h4-5H,1-3H3
InChIKeyRNJFDCDARPHLGC-UHFFFAOYSA-N
XLogP2.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-methylpyridazine;dichloromethane
CID 163342385
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5-tert-butyl-3-propan-2-yloxypyridazine
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3-chloro-5-(4-ethylpiperazin-1-yl)pyridazine
CID 114478419
2-(6-aminopyridazin-4-yl)propan-2-ol
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5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
6-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridazin-4-amine
CID 114478179
3-chloro-5-cyclopropylpyridazine
CID 118611458
2-(6-chloro-3-pyridinyl)propan-2-amine
CID 57370214
4,6-ditert-butylcinnoline
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3-chloro-5-(3-methylpyrrolidin-1-yl)pyridazine
CID 114478162

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloropyridazine?
The IUPAC name of 5-tert-butyl-3-chloropyridazine (CID 138722408) is 5-tert-butyl-3-chloropyridazine.
What is the SMILES notation for 5-tert-butyl-3-chloropyridazine?
The canonical SMILES for 5-tert-butyl-3-chloropyridazine is CC(C)(C)c1cnnc(Cl)c1.
What is the InChIKey of 5-tert-butyl-3-chloropyridazine?
The InChIKey is RNJFDCDARPHLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-10-5-6/h4-5H,1-3H3.
What are the key properties of 5-tert-butyl-3-chloropyridazine?
5-tert-butyl-3-chloropyridazine has a molecular weight of 170.64 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloropyridazine is sourced from PubChem (CID 138722408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).