5-hydroxy-2-nitrofluoren-9-one

C13H7NO4 — CID 5324263

IUPAC5-hydroxy-2-nitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2c(O)cccc21
InChIInChI=1S/C13H7NO4/c15-11-3-1-2-9-12(11)8-5-4-7(14(17)18)6-10(8)13(9)16/h1-6,15H
InChIKeyPDXBSQQDEZHRPL-UHFFFAOYSA-N
MW241.20 g/mol
LogP2.51
Rot. Bonds1

About 5-hydroxy-2-nitrofluoren-9-one

5-hydroxy-2-nitrofluoren-9-one (PubChem CID 5324263) has the molecular formula C13H7NO4 and a molecular weight of 241.20 g/mol. Its IUPAC name is 5-hydroxy-2-nitrofluoren-9-one.

Molecular Properties

Compound Name5-hydroxy-2-nitrofluoren-9-one
PubChem CID5324263
Molecular FormulaC13H7NO4
Molecular Weight241.20 g/mol
Exact Mass241.04
IUPAC Name5-hydroxy-2-nitrofluoren-9-one
SMILESO=C1c2cc([N+](=O)[O-])ccc2-c2c(O)cccc21
InChIInChI=1S/C13H7NO4/c15-11-3-1-2-9-12(11)8-5-4-7(14(17)18)6-10(8)13(9)16/h1-6,15H
InChIKeyPDXBSQQDEZHRPL-UHFFFAOYSA-N
XLogP2.51
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
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

6-nitro-9,10-dioxoanthracene-1-sulfonic acid
CID 21410236
(2S)-2-chloropropanoic acid;7-nitro-9-oxofluorene-4-carboxylic acid
CID 157056550
2,3-dichloro-6-nitronaphthalene-1,4-dione
CID 12883018
1,8-dihydroxy-3-[(5-nitrobenzimidazol-1-yl)methyl]anthracene-9,10-dione
CID 162652075
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
1,3,7-trinitrofluoren-9-one
CID 3117442
methyl 2-methyl-7-nitro-9-oxofluorene-4-carboxylate
CID 20683573
2-(5-hydroxynaphthalen-1-yl)-5-nitroisoindole-1,3-dione
CID 101469375
2,7-dinitrofluoren-9-one;pentanoic acid
CID 174419743
2-methoxyethyl 2,7-dinitro-9-oxofluorene-4-carboxylate
CID 2802144
2-(2-hydroxy-5-nitrophenyl)isoindole-1,3-dione
CID 132965088
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitrofluoren-9-one?
The IUPAC name of 5-hydroxy-2-nitrofluoren-9-one (CID 5324263) is 5-hydroxy-2-nitrofluoren-9-one.
What is the SMILES notation for 5-hydroxy-2-nitrofluoren-9-one?
The canonical SMILES for 5-hydroxy-2-nitrofluoren-9-one is O=C1c2cc([N+](=O)[O-])ccc2-c2c(O)cccc21.
What is the InChIKey of 5-hydroxy-2-nitrofluoren-9-one?
The InChIKey is PDXBSQQDEZHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NO4/c15-11-3-1-2-9-12(11)8-5-4-7(14(17)18)6-10(8)13(9)16/h1-6,15H.
What are the key properties of 5-hydroxy-2-nitrofluoren-9-one?
5-hydroxy-2-nitrofluoren-9-one has a molecular weight of 241.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitrofluoren-9-one is sourced from PubChem (CID 5324263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).