3-nitro-2H-pyridine

C5H4N2O2 — CID 152755477

IUPAC3-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CC=C=NC1
InChIInChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-2H,4H2
InChIKeyDSKBRRUVMKMXNN-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.39
Rot. Bonds1

About 3-nitro-2H-pyridine

3-nitro-2H-pyridine (PubChem CID 152755477) has the molecular formula C5H4N2O2 and a molecular weight of 124.10 g/mol. Its IUPAC name is 3-nitro-2H-pyridine.

Molecular Properties

Compound Name3-nitro-2H-pyridine
PubChem CID152755477
Molecular FormulaC5H4N2O2
Molecular Weight124.10 g/mol
Exact Mass124.03
IUPAC Name3-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CC=C=NC1
InChIInChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-2H,4H2
InChIKeyDSKBRRUVMKMXNN-UHFFFAOYSA-N
XLogP0.39
TPSA55.50 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 ≤ 50.39
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

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CID 89278893
5-fluoro-3-nitro-2H-pyrrole
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(4-nitrocyclohexa-1,3-dien-1-yl)methanol
CID 171521751
1-nitrocyclohepta-1,2,4,6-tetraene
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1-nitro-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
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N-methyl-1-(4-nitrocyclopenta-1,3-dien-1-yl)methanamine
CID 118311568
3-nitrocyclopent-2-en-1-one
CID 12657513
1-(4-nitrocyclohexa-1,3-dien-1-yl)piperidin-4-one
CID 142109126
6-nitro-7,7a-dihydro-1H-indole
CID 130414574
4-nitro-2,3-dihydro-1H-pyrazole
CID 123525066
CID 102090471
CID 102090471
1-nitrocyclooctene
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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2H-pyridine?
The IUPAC name of 3-nitro-2H-pyridine (CID 152755477) is 3-nitro-2H-pyridine.
What is the SMILES notation for 3-nitro-2H-pyridine?
The canonical SMILES for 3-nitro-2H-pyridine is O=[N+]([O-])C1=CC=C=NC1.
What is the InChIKey of 3-nitro-2H-pyridine?
The InChIKey is DSKBRRUVMKMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-2H,4H2.
What are the key properties of 3-nitro-2H-pyridine?
3-nitro-2H-pyridine has a molecular weight of 124.10 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2H-pyridine is sourced from PubChem (CID 152755477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).