2-methoxy-4,5-dimethyl-3-nitropyridine

C8H10N2O3 — CID 118881791

IUPAC2-methoxy-4,5-dimethyl-3-nitropyridine
SMILESCOc1ncc(C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-4-9-8(13-3)7(6(5)2)10(11)12/h4H,1-3H3
InChIKeyURPPHZLMCGJUAE-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.62
Rot. Bonds2

About 2-methoxy-4,5-dimethyl-3-nitropyridine

2-methoxy-4,5-dimethyl-3-nitropyridine (PubChem CID 118881791) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-3-nitropyridine.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-3-nitropyridine
PubChem CID118881791
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methoxy-4,5-dimethyl-3-nitropyridine
SMILESCOc1ncc(C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-4-9-8(13-3)7(6(5)2)10(11)12/h4H,1-3H3
InChIKeyURPPHZLMCGJUAE-UHFFFAOYSA-N
XLogP1.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-4-methyl-3-nitro-5-propylpyridine
CID 146699888
3-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)prop-2-yne-1-thiol
CID 169487428
4-bromo-1-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892914
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
ethyl 3,4-dihydroxy-4-(6-methoxy-4-methyl-5-nitro-3-pyridinyl)butanoate
CID 171898287
azane;2,3,5-trimethyl-4-nitropyridine
CID 175754992
ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate
CID 59225794
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-3-nitropyridine?
The IUPAC name of 2-methoxy-4,5-dimethyl-3-nitropyridine (CID 118881791) is 2-methoxy-4,5-dimethyl-3-nitropyridine.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-3-nitropyridine?
The canonical SMILES for 2-methoxy-4,5-dimethyl-3-nitropyridine is COc1ncc(C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-4,5-dimethyl-3-nitropyridine?
The InChIKey is URPPHZLMCGJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-9-8(13-3)7(6(5)2)10(11)12/h4H,1-3H3.
What are the key properties of 2-methoxy-4,5-dimethyl-3-nitropyridine?
2-methoxy-4,5-dimethyl-3-nitropyridine has a molecular weight of 182.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-3-nitropyridine is sourced from PubChem (CID 118881791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).