(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid

C7H7ClN2O3 — CID 162727407

IUPAC(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1ncc(Cl)cc1=O
InChIInChI=1S/C7H7ClN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13)/t4-/m1/s1
InChIKeyPYCJNQDMCMXBIJ-SCSAIBSYSA-N
MW202.60 g/mol
LogP0.54
Rot. Bonds2

About (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid

(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 162727407) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
PubChem CID162727407
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1ncc(Cl)cc1=O
InChIInChI=1S/C7H7ClN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13)/t4-/m1/s1
InChIKeyPYCJNQDMCMXBIJ-SCSAIBSYSA-N
XLogP0.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid (CID 162727407) is (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid is C[C@H](C(=O)O)n1ncc(Cl)cc1=O.
What is the InChIKey of (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is PYCJNQDMCMXBIJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-4(7(12)13)10-6(11)2-5(8)3-9-10/h2-4H,1H3,(H,12,13)/t4-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid?
(2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 202.60 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 162727407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).