(6-chloro-4-methylpyridazin-3-yl) butanoate

C9H11ClN2O2 — CID 91210271

IUPAC(6-chloro-4-methylpyridazin-3-yl) butanoate
SMILESCCCC(=O)Oc1nnc(Cl)cc1C
InChIInChI=1S/C9H11ClN2O2/c1-3-4-8(13)14-9-6(2)5-7(10)11-12-9/h5H,3-4H2,1-2H3
InChIKeyMROPQEIETXHESP-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.14
Rot. Bonds3

About (6-chloro-4-methylpyridazin-3-yl) butanoate

(6-chloro-4-methylpyridazin-3-yl) butanoate (PubChem CID 91210271) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (6-chloro-4-methylpyridazin-3-yl) butanoate.

Molecular Properties

Compound Name(6-chloro-4-methylpyridazin-3-yl) butanoate
PubChem CID91210271
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(6-chloro-4-methylpyridazin-3-yl) butanoate
SMILESCCCC(=O)Oc1nnc(Cl)cc1C
InChIInChI=1S/C9H11ClN2O2/c1-3-4-8(13)14-9-6(2)5-7(10)11-12-9/h5H,3-4H2,1-2H3
InChIKeyMROPQEIETXHESP-UHFFFAOYSA-N
XLogP2.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methylpyridazin-3-yl) butanoate?
The IUPAC name of (6-chloro-4-methylpyridazin-3-yl) butanoate (CID 91210271) is (6-chloro-4-methylpyridazin-3-yl) butanoate.
What is the SMILES notation for (6-chloro-4-methylpyridazin-3-yl) butanoate?
The canonical SMILES for (6-chloro-4-methylpyridazin-3-yl) butanoate is CCCC(=O)Oc1nnc(Cl)cc1C.
What is the InChIKey of (6-chloro-4-methylpyridazin-3-yl) butanoate?
The InChIKey is MROPQEIETXHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-4-8(13)14-9-6(2)5-7(10)11-12-9/h5H,3-4H2,1-2H3.
What are the key properties of (6-chloro-4-methylpyridazin-3-yl) butanoate?
(6-chloro-4-methylpyridazin-3-yl) butanoate has a molecular weight of 214.65 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methylpyridazin-3-yl) butanoate is sourced from PubChem (CID 91210271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).