2-(2,3-difluorophenyl)-3-nitropyridin-4-amine

C11H7F2N3O2 — CID 69134185

IUPAC2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
SMILESNc1ccnc(-c2cccc(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F2N3O2/c12-7-3-1-2-6(9(7)13)10-11(16(17)18)8(14)4-5-15-10/h1-5H,(H2,14,15)
InChIKeyWBFFMOQDLVDFJW-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine

2-(2,3-difluorophenyl)-3-nitropyridin-4-amine (PubChem CID 69134185) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
PubChem CID69134185
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
SMILESNc1ccnc(-c2cccc(F)c2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H7F2N3O2/c12-7-3-1-2-6(9(7)13)10-11(16(17)18)8(14)4-5-15-10/h1-5H,(H2,14,15)
InChIKeyWBFFMOQDLVDFJW-UHFFFAOYSA-N
XLogP2.52
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
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'}

Analyze 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine (CID 69134185) is 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine is Nc1ccnc(-c2cccc(F)c2F)c1[N+](=O)[O-].
What is the InChIKey of 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine?
The InChIKey is WBFFMOQDLVDFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-7-3-1-2-6(9(7)13)10-11(16(17)18)8(14)4-5-15-10/h1-5H,(H2,14,15).
What are the key properties of 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine?
2-(2,3-difluorophenyl)-3-nitropyridin-4-amine has a molecular weight of 251.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 69134185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).