N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine

C11H5BrF4N2 — CID 114072596

IUPACN-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(Nc2nc(F)c(F)cc2F)ccc1Br
InChIInChI=1S/C11H5BrF4N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyVTSKWXAJWWXWIT-UHFFFAOYSA-N
MW321.07 g/mol
LogP4.14
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine

N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 114072596) has the molecular formula C11H5BrF4N2 and a molecular weight of 321.07 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine
PubChem CID114072596
Molecular FormulaC11H5BrF4N2
Molecular Weight321.07 g/mol
Exact Mass319.96
IUPAC NameN-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine
SMILESFc1cc(Nc2nc(F)c(F)cc2F)ccc1Br
InChIInChI=1S/C11H5BrF4N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18)
InChIKeyVTSKWXAJWWXWIT-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 54.14
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-(4-bromo-3-chlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072741
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
N-(2,4-difluorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072340
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
CID 80843172
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
N-(4-bromo-3-fluorophenyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81006460
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
3,5,6-trifluoro-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 114072745
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine (CID 114072596) is N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine is Fc1cc(Nc2nc(F)c(F)cc2F)ccc1Br.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is VTSKWXAJWWXWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF4N2/c12-6-2-1-5(3-7(6)13)17-11-9(15)4-8(14)10(16)18-11/h1-4H,(H,17,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine?
N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 321.07 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114072596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).