5,7-dinitro-9-oxofluorene-2-carbonitrile

C14H5N3O5 — CID 71329076

IUPAC5,7-dinitro-9-oxofluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H5N3O5/c15-6-7-1-2-9-10(3-7)14(18)11-4-8(16(19)20)5-12(13(9)11)17(21)22/h1-5H
InChIKeyHQFRKYAVMZMUQK-UHFFFAOYSA-N
MW295.21 g/mol
LogP2.59
Rot. Bonds2

About 5,7-dinitro-9-oxofluorene-2-carbonitrile

5,7-dinitro-9-oxofluorene-2-carbonitrile (PubChem CID 71329076) has the molecular formula C14H5N3O5 and a molecular weight of 295.21 g/mol. Its IUPAC name is 5,7-dinitro-9-oxofluorene-2-carbonitrile.

Molecular Properties

Compound Name5,7-dinitro-9-oxofluorene-2-carbonitrile
PubChem CID71329076
Molecular FormulaC14H5N3O5
Molecular Weight295.21 g/mol
Exact Mass295.02
IUPAC Name5,7-dinitro-9-oxofluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2
InChIInChI=1S/C14H5N3O5/c15-6-7-1-2-9-10(3-7)14(18)11-4-8(16(19)20)5-12(13(9)11)17(21)22/h1-5H
InChIKeyHQFRKYAVMZMUQK-UHFFFAOYSA-N
XLogP2.59
TPSA127.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 52.59
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'}

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Related Compounds

1,3,7-trinitrofluoren-9-one
CID 3117442
3-[(7-methyl-2,4-dinitrofluoren-9-ylidene)amino]benzonitrile
CID 59944968
9,10-dioxoanthracene-2-carbonitrile
CID 13182761
4-amino-3-nitrobenzonitrile
CID 595901
4-methyl-3-(2-methyl-4-nitrophenyl)benzonitrile
CID 70273781
4-(2-cyano-6-nitrophenyl)benzene-1,3-dicarbonitrile
CID 173364368
3,5-dinitrobenzonitrile
CID 20062
5-hydroxy-2-nitrofluoren-9-one
CID 5324263
1,3,7-trinitrodibenzothiophene 5-oxide
CID 139879502
2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
CID 6510728
3-amino-4-nitrobenzonitrile
CID 11491982
4-(dichloromethyl)-3-nitrobenzonitrile
CID 14468232

Frequently Asked Questions

What is the IUPAC name of 5,7-dinitro-9-oxofluorene-2-carbonitrile?
The IUPAC name of 5,7-dinitro-9-oxofluorene-2-carbonitrile (CID 71329076) is 5,7-dinitro-9-oxofluorene-2-carbonitrile.
What is the SMILES notation for 5,7-dinitro-9-oxofluorene-2-carbonitrile?
The canonical SMILES for 5,7-dinitro-9-oxofluorene-2-carbonitrile is N#Cc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2.
What is the InChIKey of 5,7-dinitro-9-oxofluorene-2-carbonitrile?
The InChIKey is HQFRKYAVMZMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5N3O5/c15-6-7-1-2-9-10(3-7)14(18)11-4-8(16(19)20)5-12(13(9)11)17(21)22/h1-5H.
What are the key properties of 5,7-dinitro-9-oxofluorene-2-carbonitrile?
5,7-dinitro-9-oxofluorene-2-carbonitrile has a molecular weight of 295.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dinitro-9-oxofluorene-2-carbonitrile is sourced from PubChem (CID 71329076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).