4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine

C13H13FN4O2 — CID 145061520

IUPAC4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine
SMILESCNc1cc(F)cc(-c2ccnc(N)c2[N+](=O)[O-])c1C
InChIInChI=1S/C13H13FN4O2/c1-7-10(5-8(14)6-11(7)16-2)9-3-4-17-13(15)12(9)18(19)20/h3-6,16H,1-2H3,(H2,15,17)
InChIKeyVSGAKPQJYMDLOF-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.73
Rot. Bonds3

About 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine

4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine (PubChem CID 145061520) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine
PubChem CID145061520
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine
SMILESCNc1cc(F)cc(-c2ccnc(N)c2[N+](=O)[O-])c1C
InChIInChI=1S/C13H13FN4O2/c1-7-10(5-8(14)6-11(7)16-2)9-3-4-17-13(15)12(9)18(19)20/h3-6,16H,1-2H3,(H2,15,17)
InChIKeyVSGAKPQJYMDLOF-UHFFFAOYSA-N
XLogP2.73
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
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 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-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 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine (CID 145061520) is 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine is CNc1cc(F)cc(-c2ccnc(N)c2[N+](=O)[O-])c1C.
What is the InChIKey of 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine?
The InChIKey is VSGAKPQJYMDLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-7-10(5-8(14)6-11(7)16-2)9-3-4-17-13(15)12(9)18(19)20/h3-6,16H,1-2H3,(H2,15,17).
What are the key properties of 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine?
4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine has a molecular weight of 276.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-methyl-3-(methylamino)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 145061520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).