4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine

C13H11Br2ClN2 — CID 83167167

IUPAC4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2ClN2/c1-8(10-3-2-9(14)6-11(10)15)18-13-7-17-5-4-12(13)16/h2-8,18H,1H3
InChIKeyGSAMVSGWQSKSGQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.43
Rot. Bonds3

About 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine

4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine (PubChem CID 83167167) has the molecular formula C13H11Br2ClN2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
PubChem CID83167167
Molecular FormulaC13H11Br2ClN2
Molecular Weight390.51 g/mol
Exact Mass387.90
IUPAC Name4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cnccc1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C13H11Br2ClN2/c1-8(10-3-2-9(14)6-11(10)15)18-13-7-17-5-4-12(13)16/h2-8,18H,1H3
InChIKeyGSAMVSGWQSKSGQ-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(2,4-dibromophenyl)ethyl]-2-methoxy-5-methylaniline
CID 60781299
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
N-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 113354114
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine (CID 83167167) is 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine is CC(Nc1cnccc1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine?
The InChIKey is GSAMVSGWQSKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2/c1-8(10-3-2-9(14)6-11(10)15)18-13-7-17-5-4-12(13)16/h2-8,18H,1H3.
What are the key properties of 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine?
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine has a molecular weight of 390.51 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83167167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).