[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone

C13H8F2N2O4 — CID 134621166

IUPAC[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(OC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-13(15)21-10-5-1-4-9(17(19)20)11(10)12(18)8-3-2-6-16-7-8/h1-7,13H
InChIKeyLNEAXDAAKDFQHU-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.82
Rot. Bonds5

About [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone

[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone (PubChem CID 134621166) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
PubChem CID134621166
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(OC(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-13(15)21-10-5-1-4-9(17(19)20)11(10)12(18)8-3-2-6-16-7-8/h1-7,13H
InChIKeyLNEAXDAAKDFQHU-UHFFFAOYSA-N
XLogP2.82
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.82
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'}

Analyze [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(difluoromethoxy)-6-hydroxyphenyl]-pyridin-3-ylmethanone
CID 134621157
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
[3-(difluoromethyl)-2-nitrophenyl]-pyridin-3-ylmethanone
CID 134621605
CID 162601038
CID 162601038
[3-(difluoromethoxy)-4-nitrophenyl]-pyridin-4-ylmethanone
CID 134627459
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
8-(2-nitrophenoxy)octyl pyridine-3-carboxylate
CID 11624923
(5-iodo-2-nitrophenyl)-pyridin-3-ylmethanone
CID 134638321
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
[2-(difluoromethoxy)phenyl]methyl 2-methyl-6-nitrobenzoate
CID 18166530

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone (CID 134621166) is [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1c(OC(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone?
The InChIKey is LNEAXDAAKDFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-13(15)21-10-5-1-4-9(17(19)20)11(10)12(18)8-3-2-6-16-7-8/h1-7,13H.
What are the key properties of [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone?
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone has a molecular weight of 294.21 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).