2-nitropyridine

C5H4N2O2 — CID 26998

IUPAC2-nitropyridine
SMILESO=[N+]([O-])c1ccccn1
InChIInChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H
InChIKeyHLTDBMHJSBSAOM-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.99
Rot. Bonds1

About 2-nitropyridine

2-nitropyridine (PubChem CID 26998) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 2-nitropyridine.

Molecular Properties

Compound Name2-nitropyridine
PubChem CID26998
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name2-nitropyridine
SMILESO=[N+]([O-])c1ccccn1
InChIInChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H
InChIKeyHLTDBMHJSBSAOM-UHFFFAOYSA-N
XLogP0.99
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-Aminopyridine
CID 10439
Pyridine N-Oxide
CID 12753
4-Nitropyridine N-oxide
CID 14300
3-Nitropyridin-2-ylamine
CID 77887
2-Dimethylaminopyridine
CID 21885
5-Nitro-2-piperidinopyridine
CID 97158
2-Pyridinamine, 5-iodo-
CID 88579
5-Methyl-3-nitropyridin-2-amine
CID 345644
2-Amino-4-methyl-3-nitropyridine
CID 243166
2-Amino-4-methyl-5-nitropyridine
CID 243165
3-(2-Nitroethenyl)pyridine
CID 5373109
2-Amino-5-nitropyridine
CID 77888

Frequently Asked Questions

What is the IUPAC name of 2-nitropyridine?
The IUPAC name of 2-nitropyridine (CID 26998) is 2-nitropyridine.
What is the SMILES notation for 2-nitropyridine?
The canonical SMILES for 2-nitropyridine is O=[N+]([O-])c1ccccn1.
What is the InChIKey of 2-nitropyridine?
The InChIKey is HLTDBMHJSBSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H.
What are the key properties of 2-nitropyridine?
2-nitropyridine has a molecular weight of 124.10 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitropyridine is sourced from PubChem (CID 26998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).