(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone

C9H5ClN2OS — CID 107361601

IUPAC(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1sccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-2-4-14-9(7)8(13)6-1-3-11-12-5-6/h1-5H
InChIKeyRTMVDRFHIMNEBW-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.42
Rot. Bonds2

About (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone

(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone (PubChem CID 107361601) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
PubChem CID107361601
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1sccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-7-2-4-14-9(7)8(13)6-1-3-11-12-5-6/h1-5H
InChIKeyRTMVDRFHIMNEBW-UHFFFAOYSA-N
XLogP2.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone (CID 107361601) is (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone is O=C(c1ccnnc1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone?
The InChIKey is RTMVDRFHIMNEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-7-2-4-14-9(7)8(13)6-1-3-11-12-5-6/h1-5H.
What are the key properties of (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone?
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone has a molecular weight of 224.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 107361601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).