methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate

C9H10Cl2N2O4 — CID 162727507

IUPACmethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O4/c1-16-4-6(9(15)17-2)13-8(14)7(11)5(10)3-12-13/h3,6H,4H2,1-2H3
InChIKeyQCLAWVXXRCNMPP-UHFFFAOYSA-N
MW281.10 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate

methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate (PubChem CID 162727507) has the molecular formula C9H10Cl2N2O4 and a molecular weight of 281.10 g/mol. Its IUPAC name is methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate
PubChem CID162727507
Molecular FormulaC9H10Cl2N2O4
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Namemethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N2O4/c1-16-4-6(9(15)17-2)13-8(14)7(11)5(10)3-12-13/h3,6H,4H2,1-2H3
InChIKeyQCLAWVXXRCNMPP-UHFFFAOYSA-N
XLogP0.91
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)acetate
CID 2317066
Ethyl 2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727341
Ethyl 2-(4,5-dichloro-3-fluoro-6-oxopyridazin-1-yl)propanoate
CID 162727682
ethyl (2R)-2-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)propanoate
CID 175703305
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)acetate
CID 68431642
Ethyl 2-(3-bromo-4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727377
methyl (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727491
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727776
Ethyl 2-(4-chloro-5-methyl-6-oxopyridazin-1-yl)propanoate
CID 162727903
2-(4,5-Dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoic acid
CID 162727913
methyl (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoate
CID 162727914
Ethyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoate
CID 162727989

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate?
The IUPAC name of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate (CID 162727507) is methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate?
The canonical SMILES for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate is COCC(C(=O)OC)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate?
The InChIKey is QCLAWVXXRCNMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4/c1-16-4-6(9(15)17-2)13-8(14)7(11)5(10)3-12-13/h3,6H,4H2,1-2H3.
What are the key properties of methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate?
methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate has a molecular weight of 281.10 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dichloro-6-oxopyridazin-1-yl)-3-methoxypropanoate is sourced from PubChem (CID 162727507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).