2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine

C14H14N2O3 — CID 20535520

IUPAC2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
SMILESCc1ccc(CCOc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N2O3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-15-14)16(17)18/h2-7,10H,8-9H2,1H3
InChIKeyZHGLEDMRLCGQST-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine

2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine (PubChem CID 20535520) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
PubChem CID20535520
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
SMILESCc1ccc(CCOc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N2O3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-15-14)16(17)18/h2-7,10H,8-9H2,1H3
InChIKeyZHGLEDMRLCGQST-UHFFFAOYSA-N
XLogP2.92
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.92
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

1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929
1-methyl-4-[3-(4-nitrophenyl)propoxy]benzene
CID 154265214
2-(4-methylphenyl)ethyl nitrate
CID 54378614
2-[2-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155074556
(1S)-1-[4-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 78933389
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
2-methyl-5-[(4-nitrophenyl)methyl]-1H-imidazole
CID 90695997
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine?
The IUPAC name of 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine (CID 20535520) is 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine?
The canonical SMILES for 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine is Cc1ccc(CCOc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine?
The InChIKey is ZHGLEDMRLCGQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-15-14)16(17)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine?
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine has a molecular weight of 258.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine is sourced from PubChem (CID 20535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).