4-(2,3-difluorophenyl)-2-nitrophenol

C12H7F2NO3 — CID 53221638

IUPAC4-(2,3-difluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2F)ccc1O
InChIInChI=1S/C12H7F2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H
InChIKeyULGWSAXPIOKDTA-UHFFFAOYSA-N
MW251.19 g/mol
LogP3.25
Rot. Bonds2

About 4-(2,3-difluorophenyl)-2-nitrophenol

4-(2,3-difluorophenyl)-2-nitrophenol (PubChem CID 53221638) has the molecular formula C12H7F2NO3 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-nitrophenol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-nitrophenol
PubChem CID53221638
Molecular FormulaC12H7F2NO3
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Name4-(2,3-difluorophenyl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2cccc(F)c2F)ccc1O
InChIInChI=1S/C12H7F2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H
InChIKeyULGWSAXPIOKDTA-UHFFFAOYSA-N
XLogP3.25
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,3-difluorophenyl)-2-nitrophenol 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

4-(2,3-dichlorophenyl)-2-nitrophenol
CID 53221696
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
2-fluoro-6-(4-methyl-3-nitrophenyl)phenol
CID 69242564
2-nitro-4-phenylphenol
CID 13447
ethane;2-nitro-4-phenylphenol
CID 142062484
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
1,2-difluoro-3-(2-fluorophenyl)-4-nitrobenzene
CID 46314527
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(furan-2-yl)-2-nitrophenol
CID 53221595
3-(2,3-difluorophenyl)-5-nitrobenzoic acid
CID 53225943
2-ethynyl-4-(2-fluorophenyl)-1-nitrobenzene
CID 176548420
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
CID 53221641

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-nitrophenol?
The IUPAC name of 4-(2,3-difluorophenyl)-2-nitrophenol (CID 53221638) is 4-(2,3-difluorophenyl)-2-nitrophenol.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-nitrophenol?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2cccc(F)c2F)ccc1O.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-nitrophenol?
The InChIKey is ULGWSAXPIOKDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO3/c13-9-3-1-2-8(12(9)14)7-4-5-11(16)10(6-7)15(17)18/h1-6,16H.
What are the key properties of 4-(2,3-difluorophenyl)-2-nitrophenol?
4-(2,3-difluorophenyl)-2-nitrophenol has a molecular weight of 251.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-nitrophenol is sourced from PubChem (CID 53221638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).