2-[(3-nitrophenyl)methoxy]pyridine

C12H10N2O3 — CID 112788687

IUPAC2-[(3-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(COc2ccccn2)c1
InChIInChI=1S/C12H10N2O3/c15-14(16)11-5-3-4-10(8-11)9-17-12-6-1-2-7-13-12/h1-8H,9H2
InChIKeySVTQBVCEGFEVBL-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.57
Rot. Bonds4

About 2-[(3-nitrophenyl)methoxy]pyridine

2-[(3-nitrophenyl)methoxy]pyridine (PubChem CID 112788687) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methoxy]pyridine
PubChem CID112788687
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-[(3-nitrophenyl)methoxy]pyridine
SMILESO=[N+]([O-])c1cccc(COc2ccccn2)c1
InChIInChI=1S/C12H10N2O3/c15-14(16)11-5-3-4-10(8-11)9-17-12-6-1-2-7-13-12/h1-8H,9H2
InChIKeySVTQBVCEGFEVBL-UHFFFAOYSA-N
XLogP2.57
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.57
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

1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
1-methyl-2-[(3-nitrophenyl)methoxy]pyridin-1-ium chloride
CID 21332479
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
4-[(3-nitrophenyl)methoxy]benzenesulfonyl chloride
CID 43108766
4-[(3-nitrophenyl)methoxy]pyridin-3-amine
CID 143409687
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
1-methyl-4-[(3-nitrophenyl)methoxy]phthalazine
CID 3131354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methoxy]pyridine?
The IUPAC name of 2-[(3-nitrophenyl)methoxy]pyridine (CID 112788687) is 2-[(3-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 2-[(3-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 2-[(3-nitrophenyl)methoxy]pyridine is O=[N+]([O-])c1cccc(COc2ccccn2)c1.
What is the InChIKey of 2-[(3-nitrophenyl)methoxy]pyridine?
The InChIKey is SVTQBVCEGFEVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-14(16)11-5-3-4-10(8-11)9-17-12-6-1-2-7-13-12/h1-8H,9H2.
What are the key properties of 2-[(3-nitrophenyl)methoxy]pyridine?
2-[(3-nitrophenyl)methoxy]pyridine has a molecular weight of 230.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 112788687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).