N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine

C11H6BrClF2N2 — CID 102824263

IUPACN-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
SMILESFc1cc(Br)cc(F)c1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H6BrClF2N2/c12-6-3-8(14)11(9(15)4-6)17-7-1-2-16-10(13)5-7/h1-5H,(H,16,17)
InChIKeyXZAYZBRULAQKGH-UHFFFAOYSA-N
MW319.54 g/mol
LogP4.52
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine

N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine (PubChem CID 102824263) has the molecular formula C11H6BrClF2N2 and a molecular weight of 319.54 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
PubChem CID102824263
Molecular FormulaC11H6BrClF2N2
Molecular Weight319.54 g/mol
Exact Mass317.94
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
SMILESFc1cc(Br)cc(F)c1Nc1ccnc(Cl)c1
InChIInChI=1S/C11H6BrClF2N2/c12-6-3-8(14)11(9(15)4-6)17-7-1-2-16-10(13)5-7/h1-5H,(H,16,17)
InChIKeyXZAYZBRULAQKGH-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.52
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-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine (CID 102824263) is N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine is Fc1cc(Br)cc(F)c1Nc1ccnc(Cl)c1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine?
The InChIKey is XZAYZBRULAQKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2N2/c12-6-3-8(14)11(9(15)4-6)17-7-1-2-16-10(13)5-7/h1-5H,(H,16,17).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine?
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine has a molecular weight of 319.54 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 102824263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).