3-nitro-9H-fluorene-9-carbaldehyde

C14H9NO3 — CID 54060160

IUPAC3-nitro-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H9NO3/c16-8-14-11-4-2-1-3-10(11)13-7-9(15(17)18)5-6-12(13)14/h1-8,14H
InChIKeyHLRJYXKLCYBWLK-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.91
Rot. Bonds2

About 3-nitro-9H-fluorene-9-carbaldehyde

3-nitro-9H-fluorene-9-carbaldehyde (PubChem CID 54060160) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-nitro-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name3-nitro-9H-fluorene-9-carbaldehyde
PubChem CID54060160
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-nitro-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H9NO3/c16-8-14-11-4-2-1-3-10(11)13-7-9(15(17)18)5-6-12(13)14/h1-8,14H
InChIKeyHLRJYXKLCYBWLK-UHFFFAOYSA-N
XLogP2.91
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

9H-fluorene-9-carbaldehyde
CID 11074281
2-(2-formylphenyl)-5-nitrobenzaldehyde
CID 102487108
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
9-(4-nitrophenoxy)-9H-fluorene
CID 7892468
3-nitro-9,10-dihydrophenanthrene
CID 614448
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
4-nitro-12-thiatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 91132080
2-(2,4-dinitrophenyl)-4H-3,1-benzoxazine-4-carbaldehyde
CID 174503864
formic acid;1-nitro-3-phenylbenzene
CID 158057338
S-(3-nitrophenyl) methanethioate
CID 91545239
1,3-dioxo-4H-isoquinoline-4-carbaldehyde
CID 21434491

Frequently Asked Questions

What is the IUPAC name of 3-nitro-9H-fluorene-9-carbaldehyde?
The IUPAC name of 3-nitro-9H-fluorene-9-carbaldehyde (CID 54060160) is 3-nitro-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 3-nitro-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 3-nitro-9H-fluorene-9-carbaldehyde is O=CC1c2ccccc2-c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-nitro-9H-fluorene-9-carbaldehyde?
The InChIKey is HLRJYXKLCYBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-8-14-11-4-2-1-3-10(11)13-7-9(15(17)18)5-6-12(13)14/h1-8,14H.
What are the key properties of 3-nitro-9H-fluorene-9-carbaldehyde?
3-nitro-9H-fluorene-9-carbaldehyde has a molecular weight of 239.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 54060160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).