4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine

C11H8BrClN2O — CID 117107007

IUPAC4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
SMILESCOc1cccc(-c2cc(Br)c(Cl)nn2)c1
InChIInChI=1S/C11H8BrClN2O/c1-16-8-4-2-3-7(5-8)10-6-9(12)11(13)15-14-10/h2-6H,1H3
InChIKeyKZGLIKUYWSSQOW-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.57
Rot. Bonds2

About 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine

4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine (PubChem CID 117107007) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
PubChem CID117107007
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine
SMILESCOc1cccc(-c2cc(Br)c(Cl)nn2)c1
InChIInChI=1S/C11H8BrClN2O/c1-16-8-4-2-3-7(5-8)10-6-9(12)11(13)15-14-10/h2-6H,1H3
InChIKeyKZGLIKUYWSSQOW-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
3-(3-methoxyphenyl)indeno[1,2-c]pyridazin-5-one
CID 10469356
4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
CID 117107017
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine (CID 117107007) is 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine is COc1cccc(-c2cc(Br)c(Cl)nn2)c1.
What is the InChIKey of 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine?
The InChIKey is KZGLIKUYWSSQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-16-8-4-2-3-7(5-8)10-6-9(12)11(13)15-14-10/h2-6H,1H3.
What are the key properties of 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine?
4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine has a molecular weight of 299.56 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-(3-methoxyphenyl)pyridazine is sourced from PubChem (CID 117107007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).