2-[(3-nitrophenoxy)methyl]-6-phenylpyridine

C18H14N2O3 — CID 14479979

IUPAC2-[(3-nitrophenoxy)methyl]-6-phenylpyridine
SMILESO=[N+]([O-])c1cccc(OCc2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-9-5-10-17(12-16)23-13-15-8-4-11-18(19-15)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyZLZPCTJFRVGGLM-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.24
Rot. Bonds5

About 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine

2-[(3-nitrophenoxy)methyl]-6-phenylpyridine (PubChem CID 14479979) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[(3-nitrophenoxy)methyl]-6-phenylpyridine
PubChem CID14479979
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[(3-nitrophenoxy)methyl]-6-phenylpyridine
SMILESO=[N+]([O-])c1cccc(OCc2cccc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H14N2O3/c21-20(22)16-9-5-10-17(12-16)23-13-15-8-4-11-18(19-15)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyZLZPCTJFRVGGLM-UHFFFAOYSA-N
XLogP4.24
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.24
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

4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
2-[(3-nitrophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 5123449
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
4-nitro-2-[(3-nitrophenoxy)methyl]aniline
CID 62195790
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
(S)-[5-[(3-nitrophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-phenylmethanamine
CID 97287250
2-amino-3-[6-(3-nitrophenyl)-2-pyridinyl]propanoic acid
CID 170879603
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine?
The IUPAC name of 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine (CID 14479979) is 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine.
What is the SMILES notation for 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine?
The canonical SMILES for 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine is O=[N+]([O-])c1cccc(OCc2cccc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine?
The InChIKey is ZLZPCTJFRVGGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-20(22)16-9-5-10-17(12-16)23-13-15-8-4-11-18(19-15)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine?
2-[(3-nitrophenoxy)methyl]-6-phenylpyridine has a molecular weight of 306.32 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenoxy)methyl]-6-phenylpyridine is sourced from PubChem (CID 14479979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).