methyl 6-methyl-4-nitropyridine-2-carboxylate

C8H8N2O4 — CID 55277247

IUPACmethyl 6-methyl-4-nitropyridine-2-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])cc(C)n1
InChIInChI=1S/C8H8N2O4/c1-5-3-6(10(12)13)4-7(9-5)8(11)14-2/h3-4H,1-2H3
InChIKeyZQDSJEMOFUPSKY-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.08
Rot. Bonds2

About methyl 6-methyl-4-nitropyridine-2-carboxylate

methyl 6-methyl-4-nitropyridine-2-carboxylate (PubChem CID 55277247) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is methyl 6-methyl-4-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-nitropyridine-2-carboxylate
PubChem CID55277247
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namemethyl 6-methyl-4-nitropyridine-2-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])cc(C)n1
InChIInChI=1S/C8H8N2O4/c1-5-3-6(10(12)13)4-7(9-5)8(11)14-2/h3-4H,1-2H3
InChIKeyZQDSJEMOFUPSKY-UHFFFAOYSA-N
XLogP1.08
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethane;methyl 6-(hydroxymethyl)-4-nitropyridine-2-carboxylate
CID 178006746
methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
dimethyl 2-amino-5-nitrobenzene-1,3-dicarboxylate
CID 154210307
methyl 1-methyl-2-nitroimidazole-4-carboxylate
CID 118703818
ethyl 4-nitro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096774
methyl 4-methyl-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682984
methyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate
CID 2679311
4-deuterio-2,6-dimethylpyridine;2,6-dimethyl-4-nitropyridine
CID 158502197
methyl 3-methyl-5-nitroisoquinoline-1-carboxylate
CID 82572089
methyl 2-cyano-3-methyl-5-nitrobenzoate
CID 134648110
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-nitropyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-nitropyridine-2-carboxylate (CID 55277247) is methyl 6-methyl-4-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4-nitropyridine-2-carboxylate is COC(=O)c1cc([N+](=O)[O-])cc(C)n1.
What is the InChIKey of methyl 6-methyl-4-nitropyridine-2-carboxylate?
The InChIKey is ZQDSJEMOFUPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-5-3-6(10(12)13)4-7(9-5)8(11)14-2/h3-4H,1-2H3.
What are the key properties of methyl 6-methyl-4-nitropyridine-2-carboxylate?
methyl 6-methyl-4-nitropyridine-2-carboxylate has a molecular weight of 196.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-nitropyridine-2-carboxylate is sourced from PubChem (CID 55277247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).