6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine

C13H11BrCl2N2 — CID 63961093

IUPAC6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Br)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-8(10-6-5-9(15)7-11(10)16)17-13-4-2-3-12(14)18-13/h2-8H,1H3,(H,17,18)
InChIKeyPOMXDWOLJJPZKD-UHFFFAOYSA-N
MW346.06 g/mol
LogP5.32
Rot. Bonds3

About 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine

6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine (PubChem CID 63961093) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
PubChem CID63961093
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Br)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-8(10-6-5-9(15)7-11(10)16)17-13-4-2-3-12(14)18-13/h2-8H,1H3,(H,17,18)
InChIKeyPOMXDWOLJJPZKD-UHFFFAOYSA-N
XLogP5.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.06
LogP ≤ 55.32
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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 116813054
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 43110954
4-N-[1-(2,4-dichlorophenyl)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932264
N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
N-[1-(2,4-dichlorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61312514
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
CID 82761651

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine (CID 63961093) is 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine is CC(Nc1cccc(Br)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine?
The InChIKey is POMXDWOLJJPZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-8(10-6-5-9(15)7-11(10)16)17-13-4-2-3-12(14)18-13/h2-8H,1H3,(H,17,18).
What are the key properties of 6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine?
6-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-2-amine has a molecular weight of 346.06 g/mol, XLogP of 5.32, 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-(2,4-dichlorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63961093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).