methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate

C9H10N2O5 — CID 12036409

IUPACmethyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-15-8-4-3-7(11(13)14)6(10-8)5-9(12)16-2/h3-4H,5H2,1-2H3
InChIKeyUIZBUPGVDORULK-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.71
Rot. Bonds4

About methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate

methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate (PubChem CID 12036409) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
PubChem CID12036409
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Namemethyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate
SMILESCOC(=O)Cc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O5/c1-15-8-4-3-7(11(13)14)6(10-8)5-9(12)16-2/h3-4H,5H2,1-2H3
InChIKeyUIZBUPGVDORULK-UHFFFAOYSA-N
XLogP0.71
TPSA91.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.71
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

1-(6-methoxy-3-nitro-2-pyridinyl)pentan-2-one
CID 115323440
methyl 3-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]propanoate
CID 142411399
1-(6-methoxy-3-nitro-2-pyridinyl)-N-propylbutan-2-amine
CID 115323472
2-(2-bromo-3-methylbutyl)-6-methoxy-3-nitropyridine
CID 115323531
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
1-cyclopropyl-2-(6-methoxy-3-nitro-2-pyridinyl)ethanol
CID 115323510
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606
N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
CID 19759381
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
methyl 2-(2-nitrophenyl)acetate
CID 520464
CID 157299402
CID 157299402

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate (CID 12036409) is methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate is COC(=O)Cc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
The InChIKey is UIZBUPGVDORULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-15-8-4-3-7(11(13)14)6(10-8)5-9(12)16-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate?
methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate has a molecular weight of 226.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-3-nitro-2-pyridinyl)acetate is sourced from PubChem (CID 12036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).