3-methoxy-6-nitro-1H-pyridin-2-one

C6H6N2O4 — CID 71303003

IUPAC3-methoxy-6-nitro-1H-pyridin-2-one
SMILESCOc1ccc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-12-4-2-3-5(8(10)11)7-6(4)9/h2-3H,1H3,(H,7,9)
InChIKeyDTCBKUGKCBDPNG-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.29
Rot. Bonds2

About 3-methoxy-6-nitro-1H-pyridin-2-one

3-methoxy-6-nitro-1H-pyridin-2-one (PubChem CID 71303003) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 3-methoxy-6-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-6-nitro-1H-pyridin-2-one
PubChem CID71303003
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name3-methoxy-6-nitro-1H-pyridin-2-one
SMILESCOc1ccc([N+](=O)[O-])[nH]c1=O
InChIInChI=1S/C6H6N2O4/c1-12-4-2-3-5(8(10)11)7-6(4)9/h2-3H,1H3,(H,7,9)
InChIKeyDTCBKUGKCBDPNG-UHFFFAOYSA-N
XLogP0.29
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.29
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-nitro-1H-pyridin-2-one?
The IUPAC name of 3-methoxy-6-nitro-1H-pyridin-2-one (CID 71303003) is 3-methoxy-6-nitro-1H-pyridin-2-one.
What is the SMILES notation for 3-methoxy-6-nitro-1H-pyridin-2-one?
The canonical SMILES for 3-methoxy-6-nitro-1H-pyridin-2-one is COc1ccc([N+](=O)[O-])[nH]c1=O.
What is the InChIKey of 3-methoxy-6-nitro-1H-pyridin-2-one?
The InChIKey is DTCBKUGKCBDPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-12-4-2-3-5(8(10)11)7-6(4)9/h2-3H,1H3,(H,7,9).
What are the key properties of 3-methoxy-6-nitro-1H-pyridin-2-one?
3-methoxy-6-nitro-1H-pyridin-2-one has a molecular weight of 170.12 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-nitro-1H-pyridin-2-one is sourced from PubChem (CID 71303003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).