6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine

C13H12BrFN2 — CID 114051650

IUPAC6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)c1ccccc1F
InChIInChI=1S/C13H12BrFN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3
InChIKeySPZDKTJIUNKZSX-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.16
Rot. Bonds3

About 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine

6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine (PubChem CID 114051650) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
PubChem CID114051650
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)c1ccccc1F
InChIInChI=1S/C13H12BrFN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3
InChIKeySPZDKTJIUNKZSX-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114050357
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
N-[1-(2-fluorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 104839907
4-bromo-N-[1-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 79400620
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine (CID 114051650) is 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine is CC(Nc1ccc(Br)nc1)c1ccccc1F.
What is the InChIKey of 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The InChIKey is SPZDKTJIUNKZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-9(11-4-2-3-5-12(11)15)17-10-6-7-13(14)16-8-10/h2-9,17H,1H3.
What are the key properties of 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine has a molecular weight of 295.16 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114051650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).