8-nitro-1H-perimidine

C11H7N3O2 — CID 15446168

IUPAC8-nitro-1H-perimidine
SMILESO=[N+]([O-])c1cc2c3c(cccc3c1)N=CN2
InChIInChI=1S/C11H7N3O2/c15-14(16)8-4-7-2-1-3-9-11(7)10(5-8)13-6-12-9/h1-6H,(H,12,13)
InChIKeyQZYKETRLIRHIAP-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.83
Rot. Bonds1

About 8-nitro-1H-perimidine

8-nitro-1H-perimidine (PubChem CID 15446168) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 8-nitro-1H-perimidine.

Molecular Properties

Compound Name8-nitro-1H-perimidine
PubChem CID15446168
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name8-nitro-1H-perimidine
SMILESO=[N+]([O-])c1cc2c3c(cccc3c1)N=CN2
InChIInChI=1S/C11H7N3O2/c15-14(16)8-4-7-2-1-3-9-11(7)10(5-8)13-6-12-9/h1-6H,(H,12,13)
InChIKeyQZYKETRLIRHIAP-UHFFFAOYSA-N
XLogP2.83
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,8-dinitroquinoline
CID 11106850
5-nitro-2-[6-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-pyridinyl]benzo[de]isoquinoline-1,3-dione
CID 100820812
7-nitro-2H-1,2,4-benzothiadiazine
CID 150516987
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
5-nitro-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 871569
1H-indole;5-nitro-1H-indole
CID 172790290
5-nitro-2-pyridin-2-ylbenzo[de]isoquinoline-1,3-dione
CID 762418
1-chloro-3-nitronaphthalene
CID 13462997
2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
CID 169490577
1-chloro-6-nitronaphthalene
CID 25003184
(3-nitrophenyl)phosphane
CID 101369545

Frequently Asked Questions

What is the IUPAC name of 8-nitro-1H-perimidine?
The IUPAC name of 8-nitro-1H-perimidine (CID 15446168) is 8-nitro-1H-perimidine.
What is the SMILES notation for 8-nitro-1H-perimidine?
The canonical SMILES for 8-nitro-1H-perimidine is O=[N+]([O-])c1cc2c3c(cccc3c1)N=CN2.
What is the InChIKey of 8-nitro-1H-perimidine?
The InChIKey is QZYKETRLIRHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-14(16)8-4-7-2-1-3-9-11(7)10(5-8)13-6-12-9/h1-6H,(H,12,13).
What are the key properties of 8-nitro-1H-perimidine?
8-nitro-1H-perimidine has a molecular weight of 213.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-1H-perimidine is sourced from PubChem (CID 15446168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).