2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid

C9H9ClN2O3 — CID 162727245

IUPAC2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid
SMILESC/C=C/c1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C9H9ClN2O3/c1-2-3-6-7(10)4-11-12(9(6)15)5-8(13)14/h2-4H,5H2,1H3,(H,13,14)/b3-2+
InChIKeyACXRFBKNERBXND-NSCUHMNNSA-N
MW228.63 g/mol
LogP1.01
Rot. Bonds3

About 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid

2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid (PubChem CID 162727245) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid
PubChem CID162727245
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid
SMILESC/C=C/c1c(Cl)cnn(CC(=O)O)c1=O
InChIInChI=1S/C9H9ClN2O3/c1-2-3-6-7(10)4-11-12(9(6)15)5-8(13)14/h2-4H,5H2,1H3,(H,13,14)/b3-2+
InChIKeyACXRFBKNERBXND-NSCUHMNNSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid (CID 162727245) is 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid is C/C=C/c1c(Cl)cnn(CC(=O)O)c1=O.
What is the InChIKey of 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid?
The InChIKey is ACXRFBKNERBXND-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-2-3-6-7(10)4-11-12(9(6)15)5-8(13)14/h2-4H,5H2,1H3,(H,13,14)/b3-2+.
What are the key properties of 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid?
2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid has a molecular weight of 228.63 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-oxo-5-[(E)-prop-1-enyl]pyridazin-1-yl]acetic acid is sourced from PubChem (CID 162727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).