3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid

C11H8N2O6 — CID 55035431

IUPAC3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C11H8N2O6/c14-10-8(13(17)18)2-1-4-12(10)6-7-3-5-19-9(7)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyGPAIWFHFNVPSNA-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.10
Rot. Bonds4

About 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid

3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid (PubChem CID 55035431) has the molecular formula C11H8N2O6 and a molecular weight of 264.19 g/mol. Its IUPAC name is 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
PubChem CID55035431
Molecular FormulaC11H8N2O6
Molecular Weight264.19 g/mol
Exact Mass264.04
IUPAC Name3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C11H8N2O6/c14-10-8(13(17)18)2-1-4-12(10)6-7-3-5-19-9(7)11(15)16/h1-5H,6H2,(H,15,16)
InChIKeyGPAIWFHFNVPSNA-UHFFFAOYSA-N
XLogP1.10
TPSA115.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43330846
1-[2-(furan-2-yl)-2-oxoethyl]-3-nitropyridin-2-one
CID 62101804
4-(3-nitro-2-oxo-1-pyridinyl)but-2-enoic acid
CID 76940851
1-[(2-chloro-5-nitrophenyl)methyl]-3-nitropyridin-2-one
CID 62101627
3-[(3-bromo-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 114761596
methyl 4-chloro-3-[(3-nitro-2-oxo-1-pyridinyl)methyl]benzoate
CID 75519039
5-methyl-4-[(3-nitro-2-oxo-1-pyridinyl)methyl]thiophene-2-carbohydrazide
CID 80733848
methyl 3-methyl-5-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 71976905
1-[2-(aminomethyl)prop-2-enyl]-3-nitropyridin-2-one
CID 103072256
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
CID 104734630
1-[3-(4-fluorophenyl)-2-oxopropyl]-3-nitropyridin-2-one
CID 62101144

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid (CID 55035431) is 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
The InChIKey is GPAIWFHFNVPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O6/c14-10-8(13(17)18)2-1-4-12(10)6-7-3-5-19-9(7)11(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid?
3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid has a molecular weight of 264.19 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 55035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).