methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate

C12H15N3O5 — CID 103534307

IUPACmethyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC)C2)n1
InChIInChI=1S/C12H15N3O5/c1-19-8-5-6-14(7-8)11-10(15(17)18)4-3-9(13-11)12(16)20-2/h3-4,8H,5-7H2,1-2H3
InChIKeyFLZISAAIBMNPRK-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.00
Rot. Bonds4

About methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate

methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate (PubChem CID 103534307) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
PubChem CID103534307
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC)C2)n1
InChIInChI=1S/C12H15N3O5/c1-19-8-5-6-14(7-8)11-10(15(17)18)4-3-9(13-11)12(16)20-2/h3-4,8H,5-7H2,1-2H3
InChIKeyFLZISAAIBMNPRK-UHFFFAOYSA-N
XLogP1.00
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
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'}

Analyze methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(4-methylpiperazin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403379
methyl 6-(3,3-dimethylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114404314
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103356433
methyl 6-(2-carbamoylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114403552
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404163
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
methyl 5-nitro-6-(oxan-4-ylamino)pyridine-2-carboxylate
CID 114403697
6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 106836186
methyl 6-(4-chloropyrazol-1-yl)-5-nitropyridine-2-carboxylate
CID 114403069
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
CID 102963203

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate (CID 103534307) is methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate is COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OC)C2)n1.
What is the InChIKey of methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate?
The InChIKey is FLZISAAIBMNPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-19-8-5-6-14(7-8)11-10(15(17)18)4-3-9(13-11)12(16)20-2/h3-4,8H,5-7H2,1-2H3.
What are the key properties of methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate?
methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methoxypyrrolidin-1-yl)-5-nitropyridine-2-carboxylate is sourced from PubChem (CID 103534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).