3-chloro-4-(3-nitrophenyl)pyridazine

C10H6ClN3O2 — CID 174434324

IUPAC3-chloro-4-(3-nitrophenyl)pyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccnnc2Cl)c1
InChIInChI=1S/C10H6ClN3O2/c11-10-9(4-5-12-13-10)7-2-1-3-8(6-7)14(15)16/h1-6H
InChIKeyYUEXGZYSYBRGJH-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.71
Rot. Bonds2

About 3-chloro-4-(3-nitrophenyl)pyridazine

3-chloro-4-(3-nitrophenyl)pyridazine (PubChem CID 174434324) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 3-chloro-4-(3-nitrophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-(3-nitrophenyl)pyridazine
PubChem CID174434324
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name3-chloro-4-(3-nitrophenyl)pyridazine
SMILESO=[N+]([O-])c1cccc(-c2ccnnc2Cl)c1
InChIInChI=1S/C10H6ClN3O2/c11-10-9(4-5-12-13-10)7-2-1-3-8(6-7)14(15)16/h1-6H
InChIKeyYUEXGZYSYBRGJH-UHFFFAOYSA-N
XLogP2.71
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
4-chloro-5-(3-nitrophenyl)pyridine-3-carbonitrile
CID 68947176
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
CID 53223280
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-(3-nitrophenyl)-1H-pyrazine-2-thione
CID 106515750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-nitrophenyl)pyridazine?
The IUPAC name of 3-chloro-4-(3-nitrophenyl)pyridazine (CID 174434324) is 3-chloro-4-(3-nitrophenyl)pyridazine.
What is the SMILES notation for 3-chloro-4-(3-nitrophenyl)pyridazine?
The canonical SMILES for 3-chloro-4-(3-nitrophenyl)pyridazine is O=[N+]([O-])c1cccc(-c2ccnnc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-nitrophenyl)pyridazine?
The InChIKey is YUEXGZYSYBRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-10-9(4-5-12-13-10)7-2-1-3-8(6-7)14(15)16/h1-6H.
What are the key properties of 3-chloro-4-(3-nitrophenyl)pyridazine?
3-chloro-4-(3-nitrophenyl)pyridazine has a molecular weight of 235.63 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-nitrophenyl)pyridazine is sourced from PubChem (CID 174434324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).