methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate

C9H10N2O6 — CID 114403191

IUPACmethyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1ccc([N+](=O)[O-])c(OCCO)n1
InChIInChI=1S/C9H10N2O6/c1-16-9(13)6-2-3-7(11(14)15)8(10-6)17-5-4-12/h2-3,12H,4-5H2,1H3
InChIKeyWSBMWYVCQHSMIF-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.15
Rot. Bonds5

About methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate

methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate (PubChem CID 114403191) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate
PubChem CID114403191
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Namemethyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1ccc([N+](=O)[O-])c(OCCO)n1
InChIInChI=1S/C9H10N2O6/c1-16-9(13)6-2-3-7(11(14)15)8(10-6)17-5-4-12/h2-3,12H,4-5H2,1H3
InChIKeyWSBMWYVCQHSMIF-UHFFFAOYSA-N
XLogP0.15
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl 6-(3-methoxypropoxy)-5-nitropyridine-2-carboxylate
CID 114403240
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-nitro-6-(oxan-4-ylmethoxy)pyridine-2-carboxylate
CID 114403273
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
methyl 6-(2-iodophenoxy)-5-nitropyridine-2-carboxylate
CID 114403235
6-(3-methylbutoxy)-5-nitropyridine-2-carboxylic acid
CID 114403164
6-heptoxy-5-nitropyridine-2-carboxylic acid
CID 114403198
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
methyl 6-methylsulfanyl-5-nitropyridine-2-carboxylate
CID 114404806
2-[[6-methoxycarbonyl-3-[(6-methoxy-5-nitropyridine-2-carbonyl)amino]-2-pyridinyl]oxy]acetic acid
CID 135131665
methyl 6-(2-methoxyethylsulfanyl)-5-nitropyridine-2-carboxylate
CID 114404787
methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate?
The IUPAC name of methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate (CID 114403191) is methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate is COC(=O)c1ccc([N+](=O)[O-])c(OCCO)n1.
What is the InChIKey of methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate?
The InChIKey is WSBMWYVCQHSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c1-16-9(13)6-2-3-7(11(14)15)8(10-6)17-5-4-12/h2-3,12H,4-5H2,1H3.
What are the key properties of methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate?
methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate has a molecular weight of 242.19 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-hydroxyethoxy)-5-nitropyridine-2-carboxylate is sourced from PubChem (CID 114403191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).