3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

C20H18N2O5 — CID 22247632

IUPAC3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O5/c1-15(26-20-19(22(23)24)8-5-13-21-20)14-25-16-9-11-18(12-10-16)27-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3
InChIKeyLJLJCCUYHLWDDY-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.63
Rot. Bonds8

About 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine (PubChem CID 22247632) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine.

Molecular Properties

Compound Name3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
PubChem CID22247632
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N2O5/c1-15(26-20-19(22(23)24)8-5-13-21-20)14-25-16-9-11-18(12-10-16)27-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3
InChIKeyLJLJCCUYHLWDDY-UHFFFAOYSA-N
XLogP4.63
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-[4-[(4-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
3-chloro-2-[1-(4-phenoxyphenoxy)butan-2-yloxy]pyridine
CID 22247711
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The IUPAC name of 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine (CID 22247632) is 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine.
What is the SMILES notation for 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The canonical SMILES for 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine is CC(COc1ccc(Oc2ccccc2)cc1)Oc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The InChIKey is LJLJCCUYHLWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-15(26-20-19(22(23)24)8-5-13-21-20)14-25-16-9-11-18(12-10-16)27-17-6-3-2-4-7-17/h2-13,15H,14H2,1H3.
What are the key properties of 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine has a molecular weight of 366.37 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine is sourced from PubChem (CID 22247632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).