methoxymethane;4-methoxy-3-nitropyridine

C8H12N2O4 — CID 155689380

IUPACmethoxymethane;4-methoxy-3-nitropyridine
SMILESCOC.COc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3.C2H6O/c1-11-6-2-3-7-4-5(6)8(9)10;1-3-2/h2-4H,1H3;1-2H3
InChIKeyQCPXYWJFWBACQN-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.26
Rot. Bonds2

About methoxymethane;4-methoxy-3-nitropyridine

methoxymethane;4-methoxy-3-nitropyridine (PubChem CID 155689380) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methoxymethane;4-methoxy-3-nitropyridine.

Molecular Properties

Compound Namemethoxymethane;4-methoxy-3-nitropyridine
PubChem CID155689380
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethoxymethane;4-methoxy-3-nitropyridine
SMILESCOC.COc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3.C2H6O/c1-11-6-2-3-7-4-5(6)8(9)10;1-3-2/h2-4H,1H3;1-2H3
InChIKeyQCPXYWJFWBACQN-UHFFFAOYSA-N
XLogP1.26
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.26
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'}

Analyze methoxymethane;4-methoxy-3-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-4-prop-2-ynoxypyridine
CID 164662733
4-(2-tert-butylphenoxy)-3-nitropyridine
CID 59857443
4-[(3-nitro-4-pyridinyl)oxy]butan-2-amine
CID 175510532
3-nitro-4-(oxetan-3-yloxy)pyridine
CID 90409320
1-[(3-nitro-4-pyridinyl)oxy]pyridin-1-ium-4-amine chloride
CID 71732972
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
4-tert-butyl-3-nitropyridine
CID 59463874
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
CID 68908820
[2-[(3-nitro-4-pyridinyl)oxy]phenyl]methanol
CID 107713386
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634

Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-methoxy-3-nitropyridine?
The IUPAC name of methoxymethane;4-methoxy-3-nitropyridine (CID 155689380) is methoxymethane;4-methoxy-3-nitropyridine.
What is the SMILES notation for methoxymethane;4-methoxy-3-nitropyridine?
The canonical SMILES for methoxymethane;4-methoxy-3-nitropyridine is COC.COc1ccncc1[N+](=O)[O-].
What is the InChIKey of methoxymethane;4-methoxy-3-nitropyridine?
The InChIKey is QCPXYWJFWBACQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.C2H6O/c1-11-6-2-3-7-4-5(6)8(9)10;1-3-2/h2-4H,1H3;1-2H3.
What are the key properties of methoxymethane;4-methoxy-3-nitropyridine?
methoxymethane;4-methoxy-3-nitropyridine has a molecular weight of 200.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-methoxy-3-nitropyridine is sourced from PubChem (CID 155689380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).