[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone

C18H12N2O4 — CID 511929

IUPAC[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C18H12N2O4/c21-18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)24-17-11-8-15(12-19-17)20(22)23/h1-12H
InChIKeyMAMPOAGZINFIJC-UHFFFAOYSA-N
MW320.30 g/mol
LogP4.01
Rot. Bonds5

About [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone

[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone (PubChem CID 511929) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone
PubChem CID511929
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C18H12N2O4/c21-18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)24-17-11-8-15(12-19-17)20(22)23/h1-12H
InChIKeyMAMPOAGZINFIJC-UHFFFAOYSA-N
XLogP4.01
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone (CID 511929) is [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone?
The InChIKey is MAMPOAGZINFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-18(13-4-2-1-3-5-13)14-6-9-16(10-7-14)24-17-11-8-15(12-19-17)20(22)23/h1-12H.
What are the key properties of [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone?
[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone has a molecular weight of 320.30 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-nitro-2-pyridinyl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 511929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).