4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine

C11H8BrFN2O — CID 117107017

IUPAC4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
SMILESCOc1nnc(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C11H8BrFN2O/c1-16-11-9(12)6-10(14-15-11)7-3-2-4-8(13)5-7/h2-6H,1H3
InChIKeyMLJGRWYNOIKQRN-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine

4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine (PubChem CID 117107017) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine.

Molecular Properties

Compound Name4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
PubChem CID117107017
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
SMILESCOc1nnc(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C11H8BrFN2O/c1-16-11-9(12)6-10(14-15-11)7-3-2-4-8(13)5-7/h2-6H,1H3
InChIKeyMLJGRWYNOIKQRN-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
4-bromo-3-methoxy-6-(2-methoxyphenyl)pyridazine
CID 117107100
4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
CID 117107007
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
3-(3-fluorophenyl)-2-methoxy-6-methylpyridine
CID 46312939
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
3-(3-fluorophenyl)-2-methoxy-4,6-dimethylpyridine
CID 141360585
5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
CID 15022677
[5-(3-fluorophenyl)-6-methoxy-2-pyridinyl]methanol
CID 131870133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine?
The IUPAC name of 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine (CID 117107017) is 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine.
What is the SMILES notation for 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine?
The canonical SMILES for 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine is COc1nnc(-c2cccc(F)c2)cc1Br.
What is the InChIKey of 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine?
The InChIKey is MLJGRWYNOIKQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-16-11-9(12)6-10(14-15-11)7-3-2-4-8(13)5-7/h2-6H,1H3.
What are the key properties of 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine?
4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine has a molecular weight of 283.10 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine is sourced from PubChem (CID 117107017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).