3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile

C9H4ClN3O — CID 11694134

IUPAC3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccco2)nnc1Cl
InChIInChI=1S/C9H4ClN3O/c10-9-6(5-11)4-7(12-13-9)8-2-1-3-14-8/h1-4H
InChIKeyZKQFCTGADOSUMH-UHFFFAOYSA-N
MW205.60 g/mol
LogP2.26
Rot. Bonds1

About 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile

3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile (PubChem CID 11694134) has the molecular formula C9H4ClN3O and a molecular weight of 205.60 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile
PubChem CID11694134
Molecular FormulaC9H4ClN3O
Molecular Weight205.60 g/mol
Exact Mass205.00
IUPAC Name3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile
SMILESN#Cc1cc(-c2ccco2)nnc1Cl
InChIInChI=1S/C9H4ClN3O/c10-9-6(5-11)4-7(12-13-9)8-2-1-3-14-8/h1-4H
InChIKeyZKQFCTGADOSUMH-UHFFFAOYSA-N
XLogP2.26
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile (CID 11694134) is 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile is N#Cc1cc(-c2ccco2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile?
The InChIKey is ZKQFCTGADOSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3O/c10-9-6(5-11)4-7(12-13-9)8-2-1-3-14-8/h1-4H.
What are the key properties of 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile?
3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile has a molecular weight of 205.60 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 11694134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).