2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline

C12H10BrFN2O — CID 113458205

IUPAC2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-9-4-8(5-16-6-9)7-17-12-10(14)2-1-3-11(12)15/h1-6H,7,15H2
InChIKeyGKMHDINYVZTUBW-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.14
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline

2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline (PubChem CID 113458205) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
PubChem CID113458205
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline
SMILESNc1cccc(F)c1OCc1cncc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-9-4-8(5-16-6-9)7-17-12-10(14)2-1-3-11(12)15/h1-6H,7,15H2
InChIKeyGKMHDINYVZTUBW-UHFFFAOYSA-N
XLogP3.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline 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-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
2-[(5-bromo-3-pyridinyl)methoxy]-5-chloro-3-fluoroaniline
CID 114267715
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
2-[(3,5-dibromo-2-pyridinyl)oxy]-3-fluoroaniline
CID 113458300
[2-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]methanamine
CID 104796178
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 104796407
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
3-fluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 113458208
[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-dimethylphenyl]methanamine
CID 104796055
3-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]pyridine
CID 115741675

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline (CID 113458205) is 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline is Nc1cccc(F)c1OCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline?
The InChIKey is GKMHDINYVZTUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-9-4-8(5-16-6-9)7-17-12-10(14)2-1-3-11(12)15/h1-6H,7,15H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline?
2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline has a molecular weight of 297.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 113458205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).