2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine

C18H14N2O4 — CID 24632876

IUPAC2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
SMILESCc1ccc(Oc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H14N2O4/c1-13-4-6-14(7-5-13)23-15-8-10-16(11-9-15)24-18-17(20(21)22)3-2-12-19-18/h2-12H,1H3
InChIKeyQKUNBJQOBKEYJD-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.88
Rot. Bonds5

About 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine

2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine (PubChem CID 24632876) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
PubChem CID24632876
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
SMILESCc1ccc(Oc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H14N2O4/c1-13-4-6-14(7-5-13)23-15-8-10-16(11-9-15)24-18-17(20(21)22)3-2-12-19-18/h2-12H,1H3
InChIKeyQKUNBJQOBKEYJD-UHFFFAOYSA-N
XLogP4.88
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.88
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 2-[4-(4-methylphenoxy)phenoxy]-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

2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
4-[[4-[(3-nitro-2-pyridinyl)oxy]phenoxy]methyl]benzonitrile
CID 139780055
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247632
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
N-methyl-6-(4-methylphenoxy)-5-nitropyridin-2-amine
CID 80862408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine?
The IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine (CID 24632876) is 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine is Cc1ccc(Oc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine?
The InChIKey is QKUNBJQOBKEYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-13-4-6-14(7-5-13)23-15-8-10-16(11-9-15)24-18-17(20(21)22)3-2-12-19-18/h2-12H,1H3.
What are the key properties of 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine?
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine has a molecular weight of 322.32 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine is sourced from PubChem (CID 24632876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).