2-nitropyridine-3-carbaldehyde

C6H4N2O3 — CID 53424747

IUPAC2-nitropyridine-3-carbaldehyde
SMILESO=Cc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H4N2O3/c9-4-5-2-1-3-7-6(5)8(10)11/h1-4H
InChIKeyXOVNMCWPVHPBED-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.80
Rot. Bonds2

About 2-nitropyridine-3-carbaldehyde

2-nitropyridine-3-carbaldehyde (PubChem CID 53424747) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 2-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-nitropyridine-3-carbaldehyde
PubChem CID53424747
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name2-nitropyridine-3-carbaldehyde
SMILESO=Cc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C6H4N2O3/c9-4-5-2-1-3-7-6(5)8(10)11/h1-4H
InChIKeyXOVNMCWPVHPBED-UHFFFAOYSA-N
XLogP0.80
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-Pyridinecarboxaldehyde
CID 10371
6-Aminonicotinamide
CID 9500
3-Pyridinecarboxamide, 6-amino-N-hydroxy-
CID 3059529
2-Aminopyridine-3-carboxamide
CID 506623
2-Nitropyridine-5-carboxylic acid
CID 298629
1-(2-Aminopyridin-5-yl)ethanone
CID 21113396
3-Pyridinecarboxaldehyde, 2-amino-
CID 737633
6-(Dimethylamino)pyridine-3-carbaldehyde
CID 11240577
1-(2-Aminopyridin-3-yl)ethan-1-one
CID 12711131
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 736837
3-Pyridinecarboxaldehyde, 1-oxide
CID 6453122
2-Nitronicotinic acid
CID 298627

Frequently Asked Questions

What is the IUPAC name of 2-nitropyridine-3-carbaldehyde?
The IUPAC name of 2-nitropyridine-3-carbaldehyde (CID 53424747) is 2-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 2-nitropyridine-3-carbaldehyde?
The canonical SMILES for 2-nitropyridine-3-carbaldehyde is O=Cc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitropyridine-3-carbaldehyde?
The InChIKey is XOVNMCWPVHPBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-4-5-2-1-3-7-6(5)8(10)11/h1-4H.
What are the key properties of 2-nitropyridine-3-carbaldehyde?
2-nitropyridine-3-carbaldehyde has a molecular weight of 152.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 53424747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).