2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine

C14H14N2O4 — CID 175518370

IUPAC2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
SMILESCOc1ccc(C(C)Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N2O4/c1-10(11-3-6-13(19-2)7-4-11)20-14-8-5-12(9-15-14)16(17)18/h3-10H,1-2H3
InChIKeyLRAXBFGVZAMRCR-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.14
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine

2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine (PubChem CID 175518370) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
PubChem CID175518370
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
SMILESCOc1ccc(C(C)Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H14N2O4/c1-10(11-3-6-13(19-2)7-4-11)20-14-8-5-12(9-15-14)16(17)18/h3-10H,1-2H3
InChIKeyLRAXBFGVZAMRCR-UHFFFAOYSA-N
XLogP3.14
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.14
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

5-nitro-2-pentan-2-yloxypyridine
CID 143371031
2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine
CID 56997377
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
N-methyl-4-[(5-nitro-2-pyridinyl)oxy]aniline
CID 61027206
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981
1-(2,4-dinitropentan-3-yl)-4-methoxybenzene
CID 14176835
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine (CID 175518370) is 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine is COc1ccc(C(C)Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine?
The InChIKey is LRAXBFGVZAMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10(11-3-6-13(19-2)7-4-11)20-14-8-5-12(9-15-14)16(17)18/h3-10H,1-2H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine?
2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine has a molecular weight of 274.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine is sourced from PubChem (CID 175518370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).