N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine

C11H6BrCl3N2 — CID 102750053

IUPACN-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(Nc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C11H6BrCl3N2/c12-6-2-1-3-7(4-6)16-11-9(14)5-8(13)10(15)17-11/h1-5H,(H,16,17)
InChIKeyFQFYXAZGRPOQGZ-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.55
Rot. Bonds2

About N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine

N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine (PubChem CID 102750053) has the molecular formula C11H6BrCl3N2 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
PubChem CID102750053
Molecular FormulaC11H6BrCl3N2
Molecular Weight352.45 g/mol
Exact Mass349.88
IUPAC NameN-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
SMILESClc1cc(Cl)c(Nc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C11H6BrCl3N2/c12-6-2-1-3-7(4-6)16-11-9(14)5-8(13)10(15)17-11/h1-5H,(H,16,17)
InChIKeyFQFYXAZGRPOQGZ-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.55
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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine?
The IUPAC name of N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine (CID 102750053) is N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine is Clc1cc(Cl)c(Nc2cccc(Br)c2)nc1Cl.
What is the InChIKey of N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine?
The InChIKey is FQFYXAZGRPOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3N2/c12-6-2-1-3-7(4-6)16-11-9(14)5-8(13)10(15)17-11/h1-5H,(H,16,17).
What are the key properties of N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine?
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine has a molecular weight of 352.45 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine is sourced from PubChem (CID 102750053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).