formaldehyde;3-nitropyridine

C6H6N2O3 — CID 159977951

IUPACformaldehyde;3-nitropyridine
SMILESC=O.O=[N+]([O-])c1cccnc1
InChIInChI=1S/C5H4N2O2.CH2O/c8-7(9)5-2-1-3-6-4-5;1-2/h1-4H;1H2
InChIKeyOFJXWBXPHXWHFS-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.80
Rot. Bonds1

About formaldehyde;3-nitropyridine

formaldehyde;3-nitropyridine (PubChem CID 159977951) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is formaldehyde;3-nitropyridine.

Molecular Properties

Compound Nameformaldehyde;3-nitropyridine
PubChem CID159977951
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Nameformaldehyde;3-nitropyridine
SMILESC=O.O=[N+]([O-])c1cccnc1
InChIInChI=1S/C5H4N2O2.CH2O/c8-7(9)5-2-1-3-6-4-5;1-2/h1-4H;1H2
InChIKeyOFJXWBXPHXWHFS-UHFFFAOYSA-N
XLogP0.80
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.80
H-Bond Donors ≤ 50
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'}

Analyze formaldehyde;3-nitropyridine 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

ethane-1,2-diamine;3-nitropyridine
CID 142993055
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
isoquinoline;nitrobenzene
CID 71001865
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
iron(3+);nitrobenzene;trichloride
CID 70503336
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
(3-nitrophenyl) pyridine-3-carboxylate;hydrochloride
CID 158035461
4-nitropyridine;hydrate
CID 132647818
3-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 167777500
2,3-dimethoxy-1H-cinnoline;methanol;3-nitropyridine
CID 161167094
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966

Frequently Asked Questions

What is the IUPAC name of formaldehyde;3-nitropyridine?
The IUPAC name of formaldehyde;3-nitropyridine (CID 159977951) is formaldehyde;3-nitropyridine.
What is the SMILES notation for formaldehyde;3-nitropyridine?
The canonical SMILES for formaldehyde;3-nitropyridine is C=O.O=[N+]([O-])c1cccnc1.
What is the InChIKey of formaldehyde;3-nitropyridine?
The InChIKey is OFJXWBXPHXWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.CH2O/c8-7(9)5-2-1-3-6-4-5;1-2/h1-4H;1H2.
What are the key properties of formaldehyde;3-nitropyridine?
formaldehyde;3-nitropyridine has a molecular weight of 154.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3-nitropyridine is sourced from PubChem (CID 159977951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).