2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine

C12H8Br2Cl2N2 — CID 112749950

IUPAC2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
SMILESClc1ccc(CNc2cc(Cl)cnc2Br)c(Br)c1
InChIInChI=1S/C12H8Br2Cl2N2/c13-10-3-8(15)2-1-7(10)5-17-11-4-9(16)6-18-12(11)14/h1-4,6,17H,5H2
InChIKeyJTBYTKAFKYEUKB-UHFFFAOYSA-N
MW410.92 g/mol
LogP5.53
Rot. Bonds3

About 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine

2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine (PubChem CID 112749950) has the molecular formula C12H8Br2Cl2N2 and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
PubChem CID112749950
Molecular FormulaC12H8Br2Cl2N2
Molecular Weight410.92 g/mol
Exact Mass407.84
IUPAC Name2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
SMILESClc1ccc(CNc2cc(Cl)cnc2Br)c(Br)c1
InChIInChI=1S/C12H8Br2Cl2N2/c13-10-3-8(15)2-1-7(10)5-17-11-4-9(16)6-18-12(11)14/h1-4,6,17H,5H2
InChIKeyJTBYTKAFKYEUKB-UHFFFAOYSA-N
XLogP5.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 55.53
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

4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
2-bromo-5-chloro-N-(2,2-dimethylpropyl)pyridin-3-amine
CID 130535397
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
2-bromo-5-chloro-N-[(1-propylpyrazol-4-yl)methyl]pyridin-3-amine
CID 112749961

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine?
The IUPAC name of 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine (CID 112749950) is 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine?
The canonical SMILES for 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine is Clc1ccc(CNc2cc(Cl)cnc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine?
The InChIKey is JTBYTKAFKYEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2Cl2N2/c13-10-3-8(15)2-1-7(10)5-17-11-4-9(16)6-18-12(11)14/h1-4,6,17H,5H2.
What are the key properties of 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine?
2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine has a molecular weight of 410.92 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine is sourced from PubChem (CID 112749950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).