5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline

C13H12BrFN2O — CID 103483032

IUPAC5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccnc1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H12BrFN2O/c1-8-3-2-4-17-12(8)7-18-13-6-10(15)9(14)5-11(13)16/h2-6H,7,16H2,1H3
InChIKeyGJYKPUFVDWGXKI-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline

5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline (PubChem CID 103483032) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
PubChem CID103483032
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
SMILESCc1cccnc1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H12BrFN2O/c1-8-3-2-4-17-12(8)7-18-13-6-10(15)9(14)5-11(13)16/h2-6H,7,16H2,1H3
InChIKeyGJYKPUFVDWGXKI-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
3-bromo-4-[(3-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 112549798
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
2-[(5-bromo-2-chlorophenoxy)methyl]-3-methylpyridine
CID 112549915
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
6-methyl-3-[(3-methyl-2-pyridinyl)methoxy]pyridin-2-amine
CID 112649784
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline (CID 103483032) is 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline is Cc1cccnc1COc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline?
The InChIKey is GJYKPUFVDWGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-3-2-4-17-12(8)7-18-13-6-10(15)9(14)5-11(13)16/h2-6H,7,16H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline?
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline has a molecular weight of 311.15 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 103483032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).