2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine

C19H16N2O4 — CID 139780070

IUPAC2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
SMILESCc1ccc(COc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N2O4/c1-14-4-6-15(7-5-14)13-24-16-8-10-17(11-9-16)25-19-18(21(22)23)3-2-12-20-19/h2-12H,13H2,1H3
InChIKeyUYMNSBREFHFBDP-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.67
Rot. Bonds6

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

2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine (PubChem CID 139780070) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
PubChem CID139780070
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
SMILESCc1ccc(COc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H16N2O4/c1-14-4-6-15(7-5-14)13-24-16-8-10-17(11-9-16)25-19-18(21(22)23)3-2-12-20-19/h2-12H,13H2,1H3
InChIKeyUYMNSBREFHFBDP-UHFFFAOYSA-N
XLogP4.67
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.67
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'}

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
4-[[4-[(3-nitro-2-pyridinyl)oxy]phenoxy]methyl]benzonitrile
CID 139780055
2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780053
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247632
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine?
The IUPAC name of 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine (CID 139780070) is 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine?
The canonical SMILES for 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine is Cc1ccc(COc2ccc(Oc3ncccc3[N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine?
The InChIKey is UYMNSBREFHFBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-14-4-6-15(7-5-14)13-24-16-8-10-17(11-9-16)25-19-18(21(22)23)3-2-12-20-19/h2-12H,13H2,1H3.
What are the key properties of 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine?
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine has a molecular weight of 336.35 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine is sourced from PubChem (CID 139780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).