2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline

C12H10BrFN2O — CID 153356943

IUPAC2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
SMILESCOc1cc(-c2cc(F)cc(Br)c2N)ccn1
InChIInChI=1S/C12H10BrFN2O/c1-17-11-4-7(2-3-16-11)9-5-8(14)6-10(13)12(9)15/h2-6H,15H2,1H3
InChIKeyOOKUDVCWZSSRCO-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.24
Rot. Bonds2

About 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline

2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline (PubChem CID 153356943) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
PubChem CID153356943
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
SMILESCOc1cc(-c2cc(F)cc(Br)c2N)ccn1
InChIInChI=1S/C12H10BrFN2O/c1-17-11-4-7(2-3-16-11)9-5-8(14)6-10(13)12(9)15/h2-6H,15H2,1H3
InChIKeyOOKUDVCWZSSRCO-UHFFFAOYSA-N
XLogP3.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline 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-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline?
The IUPAC name of 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline (CID 153356943) is 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline?
The canonical SMILES for 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline is COc1cc(-c2cc(F)cc(Br)c2N)ccn1.
What is the InChIKey of 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline?
The InChIKey is OOKUDVCWZSSRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-17-11-4-7(2-3-16-11)9-5-8(14)6-10(13)12(9)15/h2-6H,15H2,1H3.
What are the key properties of 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline?
2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline has a molecular weight of 297.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline is sourced from PubChem (CID 153356943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).