3-nitronaphthalene-2-carbaldehyde

C11H7NO3 — CID 12069028

IUPAC3-nitronaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-7H
InChIKeySMFXJXWPJBCOHC-UHFFFAOYSA-N
MW201.18 g/mol
LogP2.56
Rot. Bonds2

About 3-nitronaphthalene-2-carbaldehyde

3-nitronaphthalene-2-carbaldehyde (PubChem CID 12069028) has the molecular formula C11H7NO3 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-nitronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-nitronaphthalene-2-carbaldehyde
PubChem CID12069028
Molecular FormulaC11H7NO3
Molecular Weight201.18 g/mol
Exact Mass201.04
IUPAC Name3-nitronaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-7H
InChIKeySMFXJXWPJBCOHC-UHFFFAOYSA-N
XLogP2.56
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 52.56
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

2,3-dinitrohexacene
CID 101108857
(E)-3-(3-nitronaphthalen-2-yl)prop-2-enoic acid
CID 58683730
sodium 2-nitrobenzaldehyde
CID 23669302
ethane;2-nitrobenzaldehyde
CID 91029364
3-nitronaphthalen-2-ol
CID 15859501
(3-nitronaphthalen-2-yl)boronic acid
CID 140905609
6-nitro-2-oxochromene-7-carbaldehyde
CID 57367258
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
2-nitro-5-sulfanylbenzaldehyde
CID 54341187
phenyl 4-formyl-3-nitrobenzenesulfonate
CID 174286342
5-(benzenesulfinyl)-2-nitrobenzaldehyde
CID 141138057
2-formyl-6-nitrophenolate
CID 4158950

Frequently Asked Questions

What is the IUPAC name of 3-nitronaphthalene-2-carbaldehyde?
The IUPAC name of 3-nitronaphthalene-2-carbaldehyde (CID 12069028) is 3-nitronaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-nitronaphthalene-2-carbaldehyde?
The canonical SMILES for 3-nitronaphthalene-2-carbaldehyde is O=Cc1cc2ccccc2cc1[N+](=O)[O-].
What is the InChIKey of 3-nitronaphthalene-2-carbaldehyde?
The InChIKey is SMFXJXWPJBCOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-7H.
What are the key properties of 3-nitronaphthalene-2-carbaldehyde?
3-nitronaphthalene-2-carbaldehyde has a molecular weight of 201.18 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitronaphthalene-2-carbaldehyde is sourced from PubChem (CID 12069028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).