6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid

C13H10N2O6 — CID 114403255

IUPAC6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C13H10N2O6/c16-7-8-1-3-9(4-2-8)21-12-11(15(19)20)6-5-10(14-12)13(17)18/h1-6,16H,7H2,(H,17,18)
InChIKeyHISZOQMGZDNZHP-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.97
Rot. Bonds5

About 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid

6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid (PubChem CID 114403255) has the molecular formula C13H10N2O6 and a molecular weight of 290.23 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
PubChem CID114403255
Molecular FormulaC13H10N2O6
Molecular Weight290.23 g/mol
Exact Mass290.05
IUPAC Name6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C13H10N2O6/c16-7-8-1-3-9(4-2-8)21-12-11(15(19)20)6-5-10(14-12)13(17)18/h1-6,16H,7H2,(H,17,18)
InChIKeyHISZOQMGZDNZHP-UHFFFAOYSA-N
XLogP1.97
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
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

6-(3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403138
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
6-(2-fluoro-3-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 107656824
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
6-(5-chloro-2-methylphenoxy)-5-nitropyridine-2-carboxylic acid
CID 114403306
5-amino-6-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxylic acid
CID 107709763
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
6-(4-ethylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80864419
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid (CID 114403255) is 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(Oc2ccc(CO)cc2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid?
The InChIKey is HISZOQMGZDNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O6/c16-7-8-1-3-9(4-2-8)21-12-11(15(19)20)6-5-10(14-12)13(17)18/h1-6,16H,7H2,(H,17,18).
What are the key properties of 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid?
6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid has a molecular weight of 290.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenoxy]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).