4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine

C14H16N4O6 — CID 161112123

IUPAC4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
SMILESCOc1cc(C)ncc1[N+](=O)[O-].COc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/2C7H8N2O3/c1-5-3-7(12-2)6(4-8-5)9(10)11;1-5-7(9(10)11)6(12-2)3-4-8-5/h2*3-4H,1-2H3
InChIKeyUJVFOGMUHPEFJW-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.61
Rot. Bonds4

About 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine

4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine (PubChem CID 161112123) has the molecular formula C14H16N4O6 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
PubChem CID161112123
Molecular FormulaC14H16N4O6
Molecular Weight336.30 g/mol
Exact Mass336.11
IUPAC Name4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
SMILESCOc1cc(C)ncc1[N+](=O)[O-].COc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/2C7H8N2O3/c1-5-3-7(12-2)6(4-8-5)9(10)11;1-5-7(9(10)11)6(12-2)3-4-8-5/h2*3-4H,1-2H3
InChIKeyUJVFOGMUHPEFJW-UHFFFAOYSA-N
XLogP2.61
TPSA130.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
(2-methyl-5-nitro-4-pyridinyl)phosphane
CID 143256798
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
CID 11424789
4-methoxy-5-nitro-2-pyrrolidin-1-ylpyridine
CID 57431518
6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
N,N,2-trimethyl-5-nitropyridin-4-amine
CID 70227740
4-methoxy-9-nitropyrido[2,3-g]quinoline-5,10-dione
CID 142655224
4-bromo-8-methoxy-6-methyl-5-nitroquinoline
CID 11738035
7-chloro-6-methoxy-4-methyl-8-nitroquinoline
CID 619863
3-chloro-2-methyl-4-nitropyridine
CID 21364039
4-ethenyl-2-methyl-3-nitropyridine
CID 74889105

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine?
The IUPAC name of 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine (CID 161112123) is 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine.
What is the SMILES notation for 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine?
The canonical SMILES for 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine is COc1cc(C)ncc1[N+](=O)[O-].COc1ccnc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine?
The InChIKey is UJVFOGMUHPEFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2O3/c1-5-3-7(12-2)6(4-8-5)9(10)11;1-5-7(9(10)11)6(12-2)3-4-8-5/h2*3-4H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine?
4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine has a molecular weight of 336.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine is sourced from PubChem (CID 161112123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).