6-chloro-4-methoxypyridazine-3-carbonitrile

C6H4ClN3O — CID 131534396

IUPAC6-chloro-4-methoxypyridazine-3-carbonitrile
SMILESCOc1cc(Cl)nnc1C#N
InChIInChI=1S/C6H4ClN3O/c1-11-5-2-6(7)10-9-4(5)3-8/h2H,1H3
InChIKeyOCHZMPZFSLBPPW-UHFFFAOYSA-N
MW169.57 g/mol
LogP1.01
Rot. Bonds1

About 6-chloro-4-methoxypyridazine-3-carbonitrile

6-chloro-4-methoxypyridazine-3-carbonitrile (PubChem CID 131534396) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 6-chloro-4-methoxypyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-methoxypyridazine-3-carbonitrile
PubChem CID131534396
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name6-chloro-4-methoxypyridazine-3-carbonitrile
SMILESCOc1cc(Cl)nnc1C#N
InChIInChI=1S/C6H4ClN3O/c1-11-5-2-6(7)10-9-4(5)3-8/h2H,1H3
InChIKeyOCHZMPZFSLBPPW-UHFFFAOYSA-N
XLogP1.01
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxypyridazine-3-carbonitrile?
The IUPAC name of 6-chloro-4-methoxypyridazine-3-carbonitrile (CID 131534396) is 6-chloro-4-methoxypyridazine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-methoxypyridazine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-methoxypyridazine-3-carbonitrile is COc1cc(Cl)nnc1C#N.
What is the InChIKey of 6-chloro-4-methoxypyridazine-3-carbonitrile?
The InChIKey is OCHZMPZFSLBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c1-11-5-2-6(7)10-9-4(5)3-8/h2H,1H3.
What are the key properties of 6-chloro-4-methoxypyridazine-3-carbonitrile?
6-chloro-4-methoxypyridazine-3-carbonitrile has a molecular weight of 169.57 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxypyridazine-3-carbonitrile is sourced from PubChem (CID 131534396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).