(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid

C7H6Cl2N2O3 — CID 162727573

IUPAC(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14)/t3-/m0/s1
InChIKeyVZYHSYUOVLQQCJ-VKHMYHEASA-N
MW237.04 g/mol
LogP1.20
Rot. Bonds2

About (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727573) has the molecular formula C7H6Cl2N2O3 and a molecular weight of 237.04 g/mol. Its IUPAC name is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727573
Molecular FormulaC7H6Cl2N2O3
Molecular Weight237.04 g/mol
Exact Mass235.98
IUPAC Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14)/t3-/m0/s1
InChIKeyVZYHSYUOVLQQCJ-VKHMYHEASA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid (CID 162727573) is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid is C[C@@H](C(=O)O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is VZYHSYUOVLQQCJ-VKHMYHEASA-N. The full InChI is InChI=1S/C7H6Cl2N2O3/c1-3(7(13)14)11-6(12)5(9)4(8)2-10-11/h2-3H,1H3,(H,13,14)/t3-/m0/s1.
What are the key properties of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid?
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 237.04 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).