1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane

C9H13ClN2O — CID 177012360

IUPAC1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1nnc(Cl)cc1C
InChIInChI=1S/C7H7ClN2O.C2H6/c1-4-3-6(8)9-10-7(4)5(2)11;1-2/h3H,1-2H3;1-2H3
InChIKeyGCRXXRKLMJGGLO-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.67
Rot. Bonds1

About 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane

1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane (PubChem CID 177012360) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane
PubChem CID177012360
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1nnc(Cl)cc1C
InChIInChI=1S/C7H7ClN2O.C2H6/c1-4-3-6(8)9-10-7(4)5(2)11;1-2/h3H,1-2H3;1-2H3
InChIKeyGCRXXRKLMJGGLO-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane?
The IUPAC name of 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane (CID 177012360) is 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane.
What is the SMILES notation for 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane?
The canonical SMILES for 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane is CC.CC(=O)c1nnc(Cl)cc1C.
What is the InChIKey of 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane?
The InChIKey is GCRXXRKLMJGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O.C2H6/c1-4-3-6(8)9-10-7(4)5(2)11;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane?
1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane has a molecular weight of 200.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane is sourced from PubChem (CID 177012360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).