3-chloro-5-nitro-3H-pyridin-2-one

C5H3ClN2O3 — CID 78170648

IUPAC3-chloro-5-nitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1Cl
InChIInChI=1S/C5H3ClN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H
InChIKeyVIIJMPAXXTXZBW-UHFFFAOYSA-N
MW174.54 g/mol
LogP0.37
Rot. Bonds1

About 3-chloro-5-nitro-3H-pyridin-2-one

3-chloro-5-nitro-3H-pyridin-2-one (PubChem CID 78170648) has the molecular formula C5H3ClN2O3 and a molecular weight of 174.54 g/mol. Its IUPAC name is 3-chloro-5-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-nitro-3H-pyridin-2-one
PubChem CID78170648
Molecular FormulaC5H3ClN2O3
Molecular Weight174.54 g/mol
Exact Mass173.98
IUPAC Name3-chloro-5-nitro-3H-pyridin-2-one
SMILESO=C1N=CC([N+](=O)[O-])=CC1Cl
InChIInChI=1S/C5H3ClN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H
InChIKeyVIIJMPAXXTXZBW-UHFFFAOYSA-N
XLogP0.37
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.54
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-3H-pyridin-2-one?
The IUPAC name of 3-chloro-5-nitro-3H-pyridin-2-one (CID 78170648) is 3-chloro-5-nitro-3H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-nitro-3H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-nitro-3H-pyridin-2-one is O=C1N=CC([N+](=O)[O-])=CC1Cl.
What is the InChIKey of 3-chloro-5-nitro-3H-pyridin-2-one?
The InChIKey is VIIJMPAXXTXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2,4H.
What are the key properties of 3-chloro-5-nitro-3H-pyridin-2-one?
3-chloro-5-nitro-3H-pyridin-2-one has a molecular weight of 174.54 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-3H-pyridin-2-one is sourced from PubChem (CID 78170648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).