methyl 6-amino-2-nitropyridine-3-carboxylate

C7H7N3O4 — CID 150527246

IUPACmethyl 6-amino-2-nitropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-5(8)9-6(4)10(12)13/h2-3H,1H3,(H2,8,9)
InChIKeyIDBPSVAYENAOGF-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.36
Rot. Bonds2

About methyl 6-amino-2-nitropyridine-3-carboxylate

methyl 6-amino-2-nitropyridine-3-carboxylate (PubChem CID 150527246) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is methyl 6-amino-2-nitropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-nitropyridine-3-carboxylate
PubChem CID150527246
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Namemethyl 6-amino-2-nitropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-5(8)9-6(4)10(12)13/h2-3H,1H3,(H2,8,9)
InChIKeyIDBPSVAYENAOGF-UHFFFAOYSA-N
XLogP0.36
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
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

methyl 2-amino-3-methyl-4-nitrobenzoate
CID 131397015
methyl 4-amino-2-hydroxy-3-nitrobenzoate
CID 23046698
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
ethyl 6-(5-ethoxycarbonyl-6-nitro-2-pyridinyl)-2-methylpyridine-3-carboxylate
CID 54542288
dimethyl 4,5-dinitronaphthalene-1,8-dicarboxylate
CID 15893383
dimethyl 2-amino-5-nitrobenzene-1,3-dicarboxylate
CID 154210307
4-methoxycarbonyl-2-methyl-3-nitrobenzoic acid
CID 67856301
2-methoxycarbonyl-5-nitrobenzoic acid
CID 13221841
methyl 2-amino-8-(trifluoromethyl)quinoline-5-carboxylate
CID 177288235
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
sodium;hydride;2-methoxycarbonyl-6-nitrobenzoic acid
CID 173336466
dimethyl 4-amino-3-methyl-5-nitrobenzene-1,2-dicarboxylate
CID 59761781

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-nitropyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-2-nitropyridine-3-carboxylate (CID 150527246) is methyl 6-amino-2-nitropyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-2-nitropyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-2-nitropyridine-3-carboxylate is COC(=O)c1ccc(N)nc1[N+](=O)[O-].
What is the InChIKey of methyl 6-amino-2-nitropyridine-3-carboxylate?
The InChIKey is IDBPSVAYENAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-5(8)9-6(4)10(12)13/h2-3H,1H3,(H2,8,9).
What are the key properties of methyl 6-amino-2-nitropyridine-3-carboxylate?
methyl 6-amino-2-nitropyridine-3-carboxylate has a molecular weight of 197.15 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-nitropyridine-3-carboxylate is sourced from PubChem (CID 150527246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).