5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile

C6H4ClN3O2 — CID 11735578

IUPAC5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile
SMILESCOc1cnn(C#N)c(=O)c1Cl
InChIInChI=1S/C6H4ClN3O2/c1-12-4-2-9-10(3-8)6(11)5(4)7/h2H,1H3
InChIKeyADQHFMPDADKYSG-UHFFFAOYSA-N
MW185.57 g/mol
LogP0.23
Rot. Bonds1

About 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile

5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile (PubChem CID 11735578) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile
PubChem CID11735578
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Name5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile
SMILESCOc1cnn(C#N)c(=O)c1Cl
InChIInChI=1S/C6H4ClN3O2/c1-12-4-2-9-10(3-8)6(11)5(4)7/h2H,1H3
InChIKeyADQHFMPDADKYSG-UHFFFAOYSA-N
XLogP0.23
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile?
The IUPAC name of 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile (CID 11735578) is 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile.
What is the SMILES notation for 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile?
The canonical SMILES for 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile is COc1cnn(C#N)c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile?
The InChIKey is ADQHFMPDADKYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c1-12-4-2-9-10(3-8)6(11)5(4)7/h2H,1H3.
What are the key properties of 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile?
5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile has a molecular weight of 185.57 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-6-oxopyridazine-1-carbonitrile is sourced from PubChem (CID 11735578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).