1,4-dichloro-6-nitrophthalazine

C8H3Cl2N3O2 — CID 10800302

IUPAC1,4-dichloro-6-nitrophthalazine
SMILESO=[N+]([O-])c1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)8(10)12-11-7/h1-3H
InChIKeyNVBIMKGUWIFRHF-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.84
Rot. Bonds1

About 1,4-dichloro-6-nitrophthalazine

1,4-dichloro-6-nitrophthalazine (PubChem CID 10800302) has the molecular formula C8H3Cl2N3O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 1,4-dichloro-6-nitrophthalazine.

Molecular Properties

Compound Name1,4-dichloro-6-nitrophthalazine
PubChem CID10800302
Molecular FormulaC8H3Cl2N3O2
Molecular Weight244.04 g/mol
Exact Mass242.96
IUPAC Name1,4-dichloro-6-nitrophthalazine
SMILESO=[N+]([O-])c1ccc2c(Cl)nnc(Cl)c2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)8(10)12-11-7/h1-3H
InChIKeyNVBIMKGUWIFRHF-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.84
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

2,4-dichloro-7-nitroquinazoline
CID 12703362
2,4-dichloro-6-nitroquinazoline
CID 12703366
4-chloro-7-nitro-[1]benzothiolo[3,2-d]triazine
CID 152778791
1-chloro-6-nitronaphthalene
CID 25003184
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
1-(3-chloro-5-nitroindazol-1-yl)ethanone
CID 2777625
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
2-chloro-5-nitrobenzenesulfinate
CID 5228765
2-chloro-5-nitrobenzotriazole
CID 142674252
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-6-nitrophthalazine?
The IUPAC name of 1,4-dichloro-6-nitrophthalazine (CID 10800302) is 1,4-dichloro-6-nitrophthalazine.
What is the SMILES notation for 1,4-dichloro-6-nitrophthalazine?
The canonical SMILES for 1,4-dichloro-6-nitrophthalazine is O=[N+]([O-])c1ccc2c(Cl)nnc(Cl)c2c1.
What is the InChIKey of 1,4-dichloro-6-nitrophthalazine?
The InChIKey is NVBIMKGUWIFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)8(10)12-11-7/h1-3H.
What are the key properties of 1,4-dichloro-6-nitrophthalazine?
1,4-dichloro-6-nitrophthalazine has a molecular weight of 244.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6-nitrophthalazine is sourced from PubChem (CID 10800302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).