methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate

C13H12N2O6 — CID 31120011

IUPACmethyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O6/c1-8-3-4-10(12(14-8)15(17)18)21-7-11-9(5-6-20-11)13(16)19-2/h3-6H,7H2,1-2H3
InChIKeyNZHTYBIWPXETFU-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.26
Rot. Bonds5

About methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate

methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate (PubChem CID 31120011) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
PubChem CID31120011
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Namemethyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COc1ccc(C)nc1[N+](=O)[O-]
InChIInChI=1S/C13H12N2O6/c1-8-3-4-10(12(14-8)15(17)18)21-7-11-9(5-6-20-11)13(16)19-2/h3-6H,7H2,1-2H3
InChIKeyNZHTYBIWPXETFU-UHFFFAOYSA-N
XLogP2.26
TPSA104.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.26
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'}

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Related Compounds

2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylic acid
CID 60709413
6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
CID 2800220
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4039175
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775255
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
CID 4007812
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
CID 113372401
methyl 2-[(5-methylsulfanyl-2-nitrobenzoyl)oxymethyl]furan-3-carboxylate
CID 31584988
methyl 2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carboxylate
CID 31125107
1-[4-ethoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]phenyl]ethanone
CID 3501169

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate (CID 31120011) is methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COc1ccc(C)nc1[N+](=O)[O-].
What is the InChIKey of methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate?
The InChIKey is NZHTYBIWPXETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c1-8-3-4-10(12(14-8)15(17)18)21-7-11-9(5-6-20-11)13(16)19-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate?
methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate has a molecular weight of 292.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 31120011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).