2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid

C7H6N2O5 — CID 83814946

IUPAC2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C7H6N2O5/c10-6(11)2-4-1-5(9(13)14)3-8-7(4)12/h1,3H,2H2,(H,8,12)(H,10,11)
InChIKeyUPUQUVGJMORMOZ-UHFFFAOYSA-N
MW198.13 g/mol
LogP-0.09
Rot. Bonds3

About 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid

2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid (PubChem CID 83814946) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
PubChem CID83814946
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C7H6N2O5/c10-6(11)2-4-1-5(9(13)14)3-8-7(4)12/h1,3H,2H2,(H,8,12)(H,10,11)
InChIKeyUPUQUVGJMORMOZ-UHFFFAOYSA-N
XLogP-0.09
TPSA113.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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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Related Compounds

5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
3-iodo-5-nitro-1H-pyridin-2-one
CID 11780423
3-(dihydroxymethyl)-5-nitro-1H-pyridin-2-one
CID 118586009
3-methyl-3-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 64671123
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
3-amino-3-(4-nitro-1H-pyrrol-2-yl)propanoic acid
CID 55273107
2-(2-chloro-3-methyl-5-nitrophenyl)acetic acid
CID 119024466
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
3-(4-chlorobut-1-enyl)-5-nitro-1H-pyridin-2-one
CID 170499502
5-nitro-3-(3-sulfanylprop-1-ynyl)-1H-pyridin-2-one
CID 169486924
ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 71081983
2-[3-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 28690488

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid?
The IUPAC name of 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid (CID 83814946) is 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid is O=C(O)Cc1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid?
The InChIKey is UPUQUVGJMORMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c10-6(11)2-4-1-5(9(13)14)3-8-7(4)12/h1,3H,2H2,(H,8,12)(H,10,11).
What are the key properties of 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid?
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid has a molecular weight of 198.13 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid is sourced from PubChem (CID 83814946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).