2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C13H12BrFN2O — CID 107633456

IUPAC2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2cc(F)ccc2Br)n1
InChIInChI=1S/C13H12BrFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-7-9(15)5-6-11(12)14/h2-7,16H,8H2,1H3
InChIKeyFIGPXDWTUFGBDI-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.60
Rot. Bonds4

About 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 107633456) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID107633456
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2cc(F)ccc2Br)n1
InChIInChI=1S/C13H12BrFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-7-9(15)5-6-11(12)14/h2-7,16H,8H2,1H3
InChIKeyFIGPXDWTUFGBDI-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,5-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107610030
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63987060
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
5-bromo-2-[(6-methoxy-2-pyridinyl)methylamino]benzonitrile
CID 82708354
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
N-[(6-bromo-2-pyridinyl)methyl]-4-fluoro-2-iodoaniline
CID 112582493
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 107633456) is 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2cc(F)ccc2Br)n1.
What is the InChIKey of 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is FIGPXDWTUFGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-18-13-4-2-3-10(17-13)8-16-12-7-9(15)5-6-11(12)14/h2-7,16H,8H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline has a molecular weight of 311.15 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 107633456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).