4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one

C13H12BrClN2O2 — CID 13373246

IUPAC4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one
SMILESCCn1ncc(OCc2ccc(Cl)cc2)c(Br)c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3
InChIKeyAEWJSZYNNCZMJF-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.26
Rot. Bonds4

About 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one

4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one (PubChem CID 13373246) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one
PubChem CID13373246
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one
SMILESCCn1ncc(OCc2ccc(Cl)cc2)c(Br)c1=O
InChIInChI=1S/C13H12BrClN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3
InChIKeyAEWJSZYNNCZMJF-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-ethyl-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 13373245
4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one
CID 13246168
2-(4-chlorophenyl)-5-[(4-chlorophenyl)methoxy]-4-iodopyridazin-3-one
CID 3080542
4-bromo-2-ethyl-5-(3-phenylprop-1-enoxy)pyridazin-3-one
CID 174531538
3-[4-[(4-chlorophenyl)methoxy]-3-(1-ethylindazol-5-yl)phenyl]propanoic acid
CID 22559151
2-butyl-4-chloro-5-[(4-methoxyphenyl)methoxy]pyridazin-3-one
CID 13246203
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
CID 121001106
5-[(4-chlorophenyl)methoxy]-2-(3,4-dichlorophenyl)-4-iodopyridazin-3-one
CID 3080543
4-chloro-2-(2-chlorobutyl)-5-[(6-iodo-3-pyridinyl)methoxy]pyridazin-3-one
CID 154239603
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19464554
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one (CID 13373246) is 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one is CCn1ncc(OCc2ccc(Cl)cc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one?
The InChIKey is AEWJSZYNNCZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-2-17-13(18)12(14)11(7-16-17)19-8-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3.
What are the key properties of 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one?
4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one has a molecular weight of 343.61 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(4-chlorophenyl)methoxy]-2-ethylpyridazin-3-one is sourced from PubChem (CID 13373246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).