3,6-dinitroacridine-9-carbonitrile

C14H6N4O4 — CID 118429042

IUPAC3,6-dinitroacridine-9-carbonitrile
SMILESN#Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C14H6N4O4/c15-7-12-10-3-1-8(17(19)20)5-13(10)16-14-6-9(18(21)22)2-4-11(12)14/h1-6H
InChIKeyLIGZXFZBTFGOJO-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.08
Rot. Bonds2

About 3,6-dinitroacridine-9-carbonitrile

3,6-dinitroacridine-9-carbonitrile (PubChem CID 118429042) has the molecular formula C14H6N4O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3,6-dinitroacridine-9-carbonitrile.

Molecular Properties

Compound Name3,6-dinitroacridine-9-carbonitrile
PubChem CID118429042
Molecular FormulaC14H6N4O4
Molecular Weight294.23 g/mol
Exact Mass294.04
IUPAC Name3,6-dinitroacridine-9-carbonitrile
SMILESN#Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C14H6N4O4/c15-7-12-10-3-1-8(17(19)20)5-13(10)16-14-6-9(18(21)22)2-4-11(12)14/h1-6H
InChIKeyLIGZXFZBTFGOJO-UHFFFAOYSA-N
XLogP3.08
TPSA122.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,6-dinitroacridine-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitroacridin-9-amine
CID 26592
2,4-dichloro-7-nitroquinazoline
CID 12703362
2-cyano-4-nitrophenolate
CID 15373227
2-amino-6-nitro-1-benzothiophene-3-carbonitrile
CID 14122311
6-nitro-1,2-benzoxazole-3-carbonitrile
CID 12783652
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
4-chloro-1,3-dimethyl-7-nitropyrazolo[3,4-b]quinoline
CID 124927414
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498
2-methyl-6-nitroquinolin-4-amine
CID 11735841
sodium;3-chloro-6-nitro-2H-indazole;hydride
CID 174516913
formaldehyde;bis(7-nitroquinoline)
CID 174420238
1,4-dichloro-6-nitrophthalazine
CID 10800302

Frequently Asked Questions

What is the IUPAC name of 3,6-dinitroacridine-9-carbonitrile?
The IUPAC name of 3,6-dinitroacridine-9-carbonitrile (CID 118429042) is 3,6-dinitroacridine-9-carbonitrile.
What is the SMILES notation for 3,6-dinitroacridine-9-carbonitrile?
The canonical SMILES for 3,6-dinitroacridine-9-carbonitrile is N#Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3,6-dinitroacridine-9-carbonitrile?
The InChIKey is LIGZXFZBTFGOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N4O4/c15-7-12-10-3-1-8(17(19)20)5-13(10)16-14-6-9(18(21)22)2-4-11(12)14/h1-6H.
What are the key properties of 3,6-dinitroacridine-9-carbonitrile?
3,6-dinitroacridine-9-carbonitrile has a molecular weight of 294.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dinitroacridine-9-carbonitrile is sourced from PubChem (CID 118429042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).