2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid

C12H10Cl2N2O3 — CID 118871613

IUPAC2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(Cl)cc2Cl)CCC1=O
InChIInChI=1S/C12H10Cl2N2O3/c13-7-1-2-8(9(14)5-7)10-3-4-11(17)16(15-10)6-12(18)19/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyOWQXWFCOMNOSHF-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid

2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid (PubChem CID 118871613) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
PubChem CID118871613
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid
SMILESO=C(O)CN1N=C(c2ccc(Cl)cc2Cl)CCC1=O
InChIInChI=1S/C12H10Cl2N2O3/c13-7-1-2-8(9(14)5-7)10-3-4-11(17)16(15-10)6-12(18)19/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyOWQXWFCOMNOSHF-UHFFFAOYSA-N
XLogP2.40
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid (CID 118871613) is 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid is O=C(O)CN1N=C(c2ccc(Cl)cc2Cl)CCC1=O.
What is the InChIKey of 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
The InChIKey is OWQXWFCOMNOSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c13-7-1-2-8(9(14)5-7)10-3-4-11(17)16(15-10)6-12(18)19/h1-2,5H,3-4,6H2,(H,18,19).
What are the key properties of 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid?
2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid has a molecular weight of 301.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dichlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetic acid is sourced from PubChem (CID 118871613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).