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

C18H13ClN2O4 — CID 139780053

IUPAC2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-4-1-3-13(11-14)12-24-15-6-8-16(9-7-15)25-18-17(21(22)23)5-2-10-20-18/h1-11H,12H2
InChIKeyMTCUUZBGMDPHEF-UHFFFAOYSA-N
MW356.77 g/mol
LogP5.01
Rot. Bonds6

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

2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine (PubChem CID 139780053) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
PubChem CID139780053
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H13ClN2O4/c19-14-4-1-3-13(11-14)12-24-15-6-8-16(9-7-15)25-18-17(21(22)23)5-2-10-20-18/h1-11H,12H2
InChIKeyMTCUUZBGMDPHEF-UHFFFAOYSA-N
XLogP5.01
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.77
LogP ≤ 55.01
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-methylphenyl)methoxy]phenoxy]-3-nitropyridine
CID 139780070
4-[[4-[(3-nitro-2-pyridinyl)oxy]phenoxy]methyl]benzonitrile
CID 139780055
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
6-[(3-chlorophenyl)methoxy]-5-nitropyridine-2-carboxylic acid
CID 114403301
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]ethanone
CID 40676941
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
2-[(3-chlorophenyl)methoxy]-6-nitrobenzoic acid
CID 107341341
N-[2-(3-chlorophenyl)ethyl]-3-nitropyridin-2-amine
CID 9250600
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine (CID 139780053) is 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine is O=[N+]([O-])c1cccnc1Oc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine?
The InChIKey is MTCUUZBGMDPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-14-4-1-3-13(11-14)12-24-15-6-8-16(9-7-15)25-18-17(21(22)23)5-2-10-20-18/h1-11H,12H2.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine?
2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine has a molecular weight of 356.77 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]phenoxy]-3-nitropyridine is sourced from PubChem (CID 139780053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).