(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid

C8H8Cl2N2O3 — CID 175703316

IUPAC(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O3/c1-2-5(8(14)15)12-7(13)6(10)4(9)3-11-12/h3,5H,2H2,1H3,(H,14,15)/t5-/m1/s1
InChIKeyRFQGPXJGSBEGCQ-RXMQYKEDSA-N
MW251.07 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid

(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 175703316) has the molecular formula C8H8Cl2N2O3 and a molecular weight of 251.07 g/mol. Its IUPAC name is (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid
PubChem CID175703316
Molecular FormulaC8H8Cl2N2O3
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid
SMILESCC[C@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C8H8Cl2N2O3/c1-2-5(8(14)15)12-7(13)6(10)4(9)3-11-12/h3,5H,2H2,1H3,(H,14,15)/t5-/m1/s1
InChIKeyRFQGPXJGSBEGCQ-RXMQYKEDSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid (CID 175703316) is (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid is CC[C@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is RFQGPXJGSBEGCQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8Cl2N2O3/c1-2-5(8(14)15)12-7(13)6(10)4(9)3-11-12/h3,5H,2H2,1H3,(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid?
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 251.07 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 175703316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).