methyl 6-methoxy-5-nitropyridine-3-carboxylate

C8H8N2O5 — CID 2746880

IUPACmethyl 6-methoxy-5-nitropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O5/c1-14-7-6(10(12)13)3-5(4-9-7)8(11)15-2/h3-4H,1-2H3
InChIKeyYVGHVJUGJZGYPW-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.79
Rot. Bonds3

About methyl 6-methoxy-5-nitropyridine-3-carboxylate

methyl 6-methoxy-5-nitropyridine-3-carboxylate (PubChem CID 2746880) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is methyl 6-methoxy-5-nitropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-5-nitropyridine-3-carboxylate
PubChem CID2746880
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Namemethyl 6-methoxy-5-nitropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O5/c1-14-7-6(10(12)13)3-5(4-9-7)8(11)15-2/h3-4H,1-2H3
InChIKeyYVGHVJUGJZGYPW-UHFFFAOYSA-N
XLogP0.79
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
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-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
methyl 6-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-5-nitropyridine-3-carboxylate
CID 118022689
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971
methyl 6-[(2S)-1-methoxy-3-oxopropan-2-yl]oxy-5-nitropyridine-3-carboxylate
CID 90011530
1-cyclohexyl-3-[(6-methoxy-5-nitropyridine-3-carbonyl)amino]thiourea
CID 3635250
(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
methyl 6-(2-cyclopropylethynyl)-5-nitropyridine-3-carboxylate
CID 130268131
methyl 4-[(5-methyl-3-nitro-2-pyridinyl)oxy]benzoate
CID 66277880
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
1-[(6-methoxy-5-nitropyridine-3-carbonyl)amino]-3-phenylthiourea
CID 5146972
methyl 3-hydroxy-4-methoxy-5-nitrobenzoate
CID 171036678
methyl 4-fluoro-3-nitrobenzoate
CID 5219721

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-5-nitropyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-5-nitropyridine-3-carboxylate (CID 2746880) is methyl 6-methoxy-5-nitropyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-5-nitropyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-5-nitropyridine-3-carboxylate is COC(=O)c1cnc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of methyl 6-methoxy-5-nitropyridine-3-carboxylate?
The InChIKey is YVGHVJUGJZGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-14-7-6(10(12)13)3-5(4-9-7)8(11)15-2/h3-4H,1-2H3.
What are the key properties of methyl 6-methoxy-5-nitropyridine-3-carboxylate?
methyl 6-methoxy-5-nitropyridine-3-carboxylate has a molecular weight of 212.16 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-5-nitropyridine-3-carboxylate is sourced from PubChem (CID 2746880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).