6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine

C14H14N2O3 — CID 2800220

IUPAC6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
SMILESCc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-10-3-6-12(7-4-10)9-19-13-8-5-11(2)15-14(13)16(17)18/h3-8H,9H2,1-2H3
InChIKeyFNTJGBKHWFZRNH-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.19
Rot. Bonds4

About 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine

6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine (PubChem CID 2800220) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine.

Molecular Properties

Compound Name6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
PubChem CID2800220
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
SMILESCc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3/c1-10-3-6-12(7-4-10)9-19-13-8-5-11(2)15-14(13)16(17)18/h3-8H,9H2,1-2H3
InChIKeyFNTJGBKHWFZRNH-UHFFFAOYSA-N
XLogP3.19
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.19
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

N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775255
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
CID 113372401
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylic acid
CID 60709413
methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
CID 31120011
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
1-[4-ethoxy-3-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]phenyl]ethanone
CID 3501169
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4963446

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine?
The IUPAC name of 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine (CID 2800220) is 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine.
What is the SMILES notation for 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine?
The canonical SMILES for 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine is Cc1ccc(COc2ccc(C)nc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine?
The InChIKey is FNTJGBKHWFZRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-3-6-12(7-4-10)9-19-13-8-5-11(2)15-14(13)16(17)18/h3-8H,9H2,1-2H3.
What are the key properties of 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine?
6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine has a molecular weight of 258.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine is sourced from PubChem (CID 2800220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).