1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone

C13H11ClN2O2 — CID 116832910

IUPAC1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
SMILESCOc1ccc(Cl)cc1C(=O)Cc1cccnn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-5-4-9(14)7-11(13)12(17)8-10-3-2-6-15-16-10/h2-7H,8H2,1H3
InChIKeyWAVCPSBMNRCPQL-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.56
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone

1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone (PubChem CID 116832910) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
PubChem CID116832910
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone
SMILESCOc1ccc(Cl)cc1C(=O)Cc1cccnn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-5-4-9(14)7-11(13)12(17)8-10-3-2-6-15-16-10/h2-7H,8H2,1H3
InChIKeyWAVCPSBMNRCPQL-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
CID 116826133
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
5-chloro-2-methoxybenzoate
CID 6933314
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-chloro-2-methoxyphenyl)pent-3-yn-1-one
CID 114964917
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone (CID 116832910) is 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone is COc1ccc(Cl)cc1C(=O)Cc1cccnn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone?
The InChIKey is WAVCPSBMNRCPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-13-5-4-9(14)7-11(13)12(17)8-10-3-2-6-15-16-10/h2-7H,8H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone?
1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone has a molecular weight of 262.70 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-pyridazin-3-ylethanone is sourced from PubChem (CID 116832910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).