5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid

C11H8N2O5S — CID 63380396

IUPAC5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccnc2[N+](=O)[O-])s1
InChIInChI=1S/C11H8N2O5S/c14-11(15)9-4-3-7(19-9)6-18-8-2-1-5-12-10(8)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyVSLLLQQIFCMBRS-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.33
Rot. Bonds5

About 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid

5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid (PubChem CID 63380396) has the molecular formula C11H8N2O5S and a molecular weight of 280.26 g/mol. Its IUPAC name is 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
PubChem CID63380396
Molecular FormulaC11H8N2O5S
Molecular Weight280.26 g/mol
Exact Mass280.02
IUPAC Name5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccnc2[N+](=O)[O-])s1
InChIInChI=1S/C11H8N2O5S/c14-11(15)9-4-3-7(19-9)6-18-8-2-1-5-12-10(8)13(16)17/h1-5H,6H2,(H,14,15)
InChIKeyVSLLLQQIFCMBRS-UHFFFAOYSA-N
XLogP2.33
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.33
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

2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
CID 102973568
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
4-[(2-nitro-3-pyridinyl)oxymethyl]-N-phenylbenzamide
CID 40662450
3-methoxy-2-nitropyridine
CID 556063
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid (CID 63380396) is 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(COc2cccnc2[N+](=O)[O-])s1.
What is the InChIKey of 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is VSLLLQQIFCMBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5S/c14-11(15)9-4-3-7(19-9)6-18-8-2-1-5-12-10(8)13(16)17/h1-5H,6H2,(H,14,15).
What are the key properties of 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 280.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63380396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).