3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid

C11H8N2O6 — CID 61380335

IUPAC3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O6/c14-11(15)10-8(2-1-5-12-10)18-6-7-3-4-9(19-7)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyKBQLPZYRWYUNPF-UHFFFAOYSA-N
MW264.19 g/mol
LogP1.86
Rot. Bonds5

About 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid

3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 61380335) has the molecular formula C11H8N2O6 and a molecular weight of 264.19 g/mol. Its IUPAC name is 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID61380335
Molecular FormulaC11H8N2O6
Molecular Weight264.19 g/mol
Exact Mass264.04
IUPAC Name3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H8N2O6/c14-11(15)10-8(2-1-5-12-10)18-6-7-3-4-9(19-7)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyKBQLPZYRWYUNPF-UHFFFAOYSA-N
XLogP1.86
TPSA115.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 51.86
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

3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61026787
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
2-[(5-bromo-2-methylphenoxy)methyl]-5-nitrofuran
CID 107284289
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63380396
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid (CID 61380335) is 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is KBQLPZYRWYUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O6/c14-11(15)10-8(2-1-5-12-10)18-6-7-3-4-9(19-7)13(16)17/h1-5H,6H2,(H,14,15).
What are the key properties of 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid?
3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 264.19 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 61380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).