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

C13H11BrClFN2 — CID 114050357

IUPAC5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnc(Cl)c(Br)c1)c1ccccc1F
InChIInChI=1S/C13H11BrClFN2/c1-8(10-4-2-3-5-12(10)16)18-9-6-11(14)13(15)17-7-9/h2-8,18H,1H3
InChIKeySEYKJAOLJLQXNQ-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.81
Rot. Bonds3

About 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine

5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine (PubChem CID 114050357) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
PubChem CID114050357
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnc(Cl)c(Br)c1)c1ccccc1F
InChIInChI=1S/C13H11BrClFN2/c1-8(10-4-2-3-5-12(10)16)18-9-6-11(14)13(15)17-7-9/h2-8,18H,1H3
InChIKeySEYKJAOLJLQXNQ-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.81
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-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531927
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[1-(2-fluorophenyl)ethyl]quinoxalin-6-amine
CID 60943140
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine (CID 114050357) is 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine is CC(Nc1cnc(Cl)c(Br)c1)c1ccccc1F.
What is the InChIKey of 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
The InChIKey is SEYKJAOLJLQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-8(10-4-2-3-5-12(10)16)18-9-6-11(14)13(15)17-7-9/h2-8,18H,1H3.
What are the key properties of 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine?
5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine has a molecular weight of 329.60 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 114050357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).