4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine

C8H8BrClF2N2O — CID 168935797

IUPAC4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine
SMILESCOc1nnc(Cl)cc1C(Br)CC(F)F
InChIInChI=1S/C8H8BrClF2N2O/c1-15-8-4(2-6(10)13-14-8)5(9)3-7(11)12/h2,5,7H,3H2,1H3
InChIKeyOAGHFWZTZTWJLT-UHFFFAOYSA-N
MW301.52 g/mol
LogP3.23
Rot. Bonds4

About 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine

4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine (PubChem CID 168935797) has the molecular formula C8H8BrClF2N2O and a molecular weight of 301.52 g/mol. Its IUPAC name is 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine.

Molecular Properties

Compound Name4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine
PubChem CID168935797
Molecular FormulaC8H8BrClF2N2O
Molecular Weight301.52 g/mol
Exact Mass299.95
IUPAC Name4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine
SMILESCOc1nnc(Cl)cc1C(Br)CC(F)F
InChIInChI=1S/C8H8BrClF2N2O/c1-15-8-4(2-6(10)13-14-8)5(9)3-7(11)12/h2,5,7H,3H2,1H3
InChIKeyOAGHFWZTZTWJLT-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine?
The IUPAC name of 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine (CID 168935797) is 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine.
What is the SMILES notation for 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine?
The canonical SMILES for 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine is COc1nnc(Cl)cc1C(Br)CC(F)F.
What is the InChIKey of 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine?
The InChIKey is OAGHFWZTZTWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClF2N2O/c1-15-8-4(2-6(10)13-14-8)5(9)3-7(11)12/h2,5,7H,3H2,1H3.
What are the key properties of 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine?
4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine has a molecular weight of 301.52 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-3,3-difluoropropyl)-6-chloro-3-methoxypyridazine is sourced from PubChem (CID 168935797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).