2-(6-chloropyridazin-4-yl)acetic acid

C6H5ClN2O2 — CID 134691925

IUPAC2-(6-chloropyridazin-4-yl)acetic acid
SMILESO=C(O)Cc1cnnc(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-5-1-4(2-6(10)11)3-8-9-5/h1,3H,2H2,(H,10,11)
InChIKeyQTEBJBNJJATETR-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.76
Rot. Bonds2

About 2-(6-chloropyridazin-4-yl)acetic acid

2-(6-chloropyridazin-4-yl)acetic acid (PubChem CID 134691925) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 2-(6-chloropyridazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloropyridazin-4-yl)acetic acid
PubChem CID134691925
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name2-(6-chloropyridazin-4-yl)acetic acid
SMILESO=C(O)Cc1cnnc(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-5-1-4(2-6(10)11)3-8-9-5/h1,3H,2H2,(H,10,11)
InChIKeyQTEBJBNJJATETR-UHFFFAOYSA-N
XLogP0.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloropyridazin-4-yl)acetic acid (CID 134691925) is 2-(6-chloropyridazin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloropyridazin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloropyridazin-4-yl)acetic acid is O=C(O)Cc1cnnc(Cl)c1.
What is the InChIKey of 2-(6-chloropyridazin-4-yl)acetic acid?
The InChIKey is QTEBJBNJJATETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-5-1-4(2-6(10)11)3-8-9-5/h1,3H,2H2,(H,10,11).
What are the key properties of 2-(6-chloropyridazin-4-yl)acetic acid?
2-(6-chloropyridazin-4-yl)acetic acid has a molecular weight of 172.57 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-4-yl)acetic acid is sourced from PubChem (CID 134691925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).