methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate

C13H11N3O4 — CID 69163144

IUPACmethyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc([N+](=O)[O-])cnc2C)nc1
InChIInChI=1S/C13H11N3O4/c1-8-11(5-10(7-14-8)16(18)19)12-4-3-9(6-15-12)13(17)20-2/h3-7H,1-2H3
InChIKeyZTVBDGZJLICMDD-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.15
Rot. Bonds3

About methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate

methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate (PubChem CID 69163144) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate
PubChem CID69163144
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namemethyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc([N+](=O)[O-])cnc2C)nc1
InChIInChI=1S/C13H11N3O4/c1-8-11(5-10(7-14-8)16(18)19)12-4-3-9(6-15-12)13(17)20-2/h3-7H,1-2H3
InChIKeyZTVBDGZJLICMDD-UHFFFAOYSA-N
XLogP2.15
TPSA95.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.15
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

ethyl 4-methyl-3-(5-nitro-2-pyridinyl)benzoate
CID 66552353
methyl 5-(5-nitro-2-pyridinyl)thiophene-2-carboxylate
CID 58657120
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate
CID 155908909
methyl 4-(4-nitrobenzoyl)benzoate
CID 596153
ethyl 2-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-5-nitropyridine-3-carboxylate
CID 7598221
methyl 3-amino-5-(5-methyl-2-pyridinyl)benzoate;3-(5-methyl-2-pyridinyl)-5-nitrobenzoic acid
CID 159444376
3-(furan-3-yl)-2-methyl-5-nitropyridine
CID 165009700
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
N-(2-methyl-5-nitro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 168935320
ethane;methyl 3-nitrobenzoate
CID 166455377
1,3-dinitrobenzene;methyl benzoate
CID 174443884

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate (CID 69163144) is methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2cc([N+](=O)[O-])cnc2C)nc1.
What is the InChIKey of methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate?
The InChIKey is ZTVBDGZJLICMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-11(5-10(7-14-8)16(18)19)12-4-3-9(6-15-12)13(17)20-2/h3-7H,1-2H3.
What are the key properties of methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate?
methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate is sourced from PubChem (CID 69163144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).