5-chloro-8-phenylpyrido[3,4-d]pyridazine

C13H8ClN3 — CID 14241246

IUPAC5-chloro-8-phenylpyrido[3,4-d]pyridazine
SMILESClc1ncc(-c2ccccc2)c2cnncc12
InChIInChI=1S/C13H8ClN3/c14-13-12-8-17-16-7-11(12)10(6-15-13)9-4-2-1-3-5-9/h1-8H
InChIKeyFVNOYSKNIITRDL-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 5-chloro-8-phenylpyrido[3,4-d]pyridazine

5-chloro-8-phenylpyrido[3,4-d]pyridazine (PubChem CID 14241246) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-8-phenylpyrido[3,4-d]pyridazine.

Molecular Properties

Compound Name5-chloro-8-phenylpyrido[3,4-d]pyridazine
PubChem CID14241246
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name5-chloro-8-phenylpyrido[3,4-d]pyridazine
SMILESClc1ncc(-c2ccccc2)c2cnncc12
InChIInChI=1S/C13H8ClN3/c14-13-12-8-17-16-7-11(12)10(6-15-13)9-4-2-1-3-5-9/h1-8H
InChIKeyFVNOYSKNIITRDL-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-5-phenylisoquinolin-4-ol
CID 141275258
4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991
4-chloro-5-phenylpyrimidin-2-amine
CID 89417218
1-(dichloromethyl)-4-phenylisoquinoline
CID 139599954
1-methyl-4-phenylisoquinoline;dihydrochloride
CID 70514561
iridium;1-(2-methanidylphenyl)-4-phenylisoquinoline
CID 155609024
6-chloro-5-phenylpyridine-3-carbonyl chloride
CID 133097760
6-benzyl-8-phenylpyrido[3,4-d]pyridazin-5-one
CID 14241243
5,7-diphenylfuro[3,4-d]pyridazine
CID 13205314
1,4,5,8-tetraphenyl-2,6-naphthyridine
CID 13154164
4-chloro-2-methylsulfonyl-5-phenylpyrimidine
CID 24903705
iridium;4-phenyl-1-phenylisoquinoline
CID 58240172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-phenylpyrido[3,4-d]pyridazine?
The IUPAC name of 5-chloro-8-phenylpyrido[3,4-d]pyridazine (CID 14241246) is 5-chloro-8-phenylpyrido[3,4-d]pyridazine.
What is the SMILES notation for 5-chloro-8-phenylpyrido[3,4-d]pyridazine?
The canonical SMILES for 5-chloro-8-phenylpyrido[3,4-d]pyridazine is Clc1ncc(-c2ccccc2)c2cnncc12.
What is the InChIKey of 5-chloro-8-phenylpyrido[3,4-d]pyridazine?
The InChIKey is FVNOYSKNIITRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-13-12-8-17-16-7-11(12)10(6-15-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-chloro-8-phenylpyrido[3,4-d]pyridazine?
5-chloro-8-phenylpyrido[3,4-d]pyridazine has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-phenylpyrido[3,4-d]pyridazine is sourced from PubChem (CID 14241246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).