N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine

C13H11BrClFN2 — CID 116813054

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClFN2/c1-8(10-6-5-9(14)7-11(10)15)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18)
InChIKeyRDBBKFDINFYEDA-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.81
Rot. Bonds3

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 116813054) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
PubChem CID116813054
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClFN2/c1-8(10-6-5-9(14)7-11(10)15)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18)
InChIKeyRDBBKFDINFYEDA-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-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 63961093
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine (CID 116813054) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine is CC(Nc1cccc(F)n1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is RDBBKFDINFYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-8(10-6-5-9(14)7-11(10)15)17-13-4-2-3-12(16)18-13/h2-8H,1H3,(H,17,18).
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-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 N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 116813054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).