2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid

C6H4Cl2N2O3 — CID 162727634

IUPAC2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(Cl)c(Cl)cc1=O
InChIInChI=1S/C6H4Cl2N2O3/c7-3-1-4(11)10(2-5(12)13)9-6(3)8/h1H,2H2,(H,12,13)
InChIKeyFEKSLTSBEQXJTM-UHFFFAOYSA-N
MW223.01 g/mol
LogP0.63
Rot. Bonds2

About 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid

2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid (PubChem CID 162727634) has the molecular formula C6H4Cl2N2O3 and a molecular weight of 223.01 g/mol. Its IUPAC name is 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid
PubChem CID162727634
Molecular FormulaC6H4Cl2N2O3
Molecular Weight223.01 g/mol
Exact Mass221.96
IUPAC Name2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(Cl)c(Cl)cc1=O
InChIInChI=1S/C6H4Cl2N2O3/c7-3-1-4(11)10(2-5(12)13)9-6(3)8/h1H,2H2,(H,12,13)
InChIKeyFEKSLTSBEQXJTM-UHFFFAOYSA-N
XLogP0.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid?
The IUPAC name of 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid (CID 162727634) is 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid is O=C(O)Cn1nc(Cl)c(Cl)cc1=O.
What is the InChIKey of 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid?
The InChIKey is FEKSLTSBEQXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O3/c7-3-1-4(11)10(2-5(12)13)9-6(3)8/h1H,2H2,(H,12,13).
What are the key properties of 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid?
2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid has a molecular weight of 223.01 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid is sourced from PubChem (CID 162727634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).