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

C18H14N2O3 — CID 145045044

IUPAC5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
SMILESCc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)cc1
InChIInChI=1S/C18H14N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)23-17-10-11-18(19-12-17)20(21)22/h2-12H,1H3
InChIKeyZJAMBNVLFXVICW-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.76
Rot. Bonds4

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

5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine (PubChem CID 145045044) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
PubChem CID145045044
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
SMILESCc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)cc1
InChIInChI=1S/C18H14N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)23-17-10-11-18(19-12-17)20(21)22/h2-12H,1H3
InChIKeyZJAMBNVLFXVICW-UHFFFAOYSA-N
XLogP4.76
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.76
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

2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
N-methyl-4-[(6-nitro-3-pyridinyl)oxy]benzamide
CID 59686993
3-[(6-nitro-3-pyridinyl)oxy]phenol
CID 114997816
5-[4-(4-methylphenyl)phenoxy]pyridin-2-amine
CID 145045214
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-nitro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 160610381
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
N-[2-[(6-nitro-3-pyridinyl)oxy]ethyl]propan-2-amine
CID 115001598
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
tert-butyl N-[[4-[3-[(6-nitro-3-pyridinyl)oxy]phenoxy]phenyl]methyl]carbamate
CID 141280470
5-(2-fluorophenoxy)-2-nitropyridine;5-(2-fluorophenoxy)pyridin-2-amine
CID 174492692

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine?
The IUPAC name of 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine (CID 145045044) is 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine.
What is the SMILES notation for 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine?
The canonical SMILES for 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine is Cc1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])nc3)cc2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine?
The InChIKey is ZJAMBNVLFXVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)23-17-10-11-18(19-12-17)20(21)22/h2-12H,1H3.
What are the key properties of 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine?
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine has a molecular weight of 306.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine is sourced from PubChem (CID 145045044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).