6-chloropyrido[3,2-c]pyridazine-3-carbonitrile

C8H3ClN4 — CID 156819274

IUPAC6-chloropyrido[3,2-c]pyridazine-3-carbonitrile
SMILESN#Cc1cc2nc(Cl)ccc2nn1
InChIInChI=1S/C8H3ClN4/c9-8-2-1-6-7(11-8)3-5(4-10)12-13-6/h1-3H
InChIKeyLCPCRJBHTCODCO-UHFFFAOYSA-N
MW190.59 g/mol
LogP1.55
Rot. Bonds

About 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile

6-chloropyrido[3,2-c]pyridazine-3-carbonitrile (PubChem CID 156819274) has the molecular formula C8H3ClN4 and a molecular weight of 190.59 g/mol. Its IUPAC name is 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloropyrido[3,2-c]pyridazine-3-carbonitrile
PubChem CID156819274
Molecular FormulaC8H3ClN4
Molecular Weight190.59 g/mol
Exact Mass190.00
IUPAC Name6-chloropyrido[3,2-c]pyridazine-3-carbonitrile
SMILESN#Cc1cc2nc(Cl)ccc2nn1
InChIInChI=1S/C8H3ClN4/c9-8-2-1-6-7(11-8)3-5(4-10)12-13-6/h1-3H
InChIKeyLCPCRJBHTCODCO-UHFFFAOYSA-N
XLogP1.55
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile?
The IUPAC name of 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile (CID 156819274) is 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile?
The canonical SMILES for 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile is N#Cc1cc2nc(Cl)ccc2nn1.
What is the InChIKey of 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile?
The InChIKey is LCPCRJBHTCODCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN4/c9-8-2-1-6-7(11-8)3-5(4-10)12-13-6/h1-3H.
What are the key properties of 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile?
6-chloropyrido[3,2-c]pyridazine-3-carbonitrile has a molecular weight of 190.59 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrido[3,2-c]pyridazine-3-carbonitrile is sourced from PubChem (CID 156819274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).