N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

C12H6BrF5N2 — CID 107593334

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H6BrF5N2/c1-4-2-6(14)5(13)3-7(4)19-10-8(15)11(17)20-12(18)9(10)16/h2-3H,1H3,(H,19,20)
InChIKeyGXSHSPLHNBSRTA-UHFFFAOYSA-N
MW353.09 g/mol
LogP4.59
Rot. Bonds2

About N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 107593334) has the molecular formula C12H6BrF5N2 and a molecular weight of 353.09 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID107593334
Molecular FormulaC12H6BrF5N2
Molecular Weight353.09 g/mol
Exact Mass351.96
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCc1cc(F)c(Br)cc1Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H6BrF5N2/c1-4-2-6(14)5(13)3-7(4)19-10-8(15)11(17)20-12(18)9(10)16/h2-3H,1H3,(H,19,20)
InChIKeyGXSHSPLHNBSRTA-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 107593354
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
N-(2,6-difluoro-3-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 82820207
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine (CID 107593334) is N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is Cc1cc(F)c(Br)cc1Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is GXSHSPLHNBSRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF5N2/c1-4-2-6(14)5(13)3-7(4)19-10-8(15)11(17)20-12(18)9(10)16/h2-3H,1H3,(H,19,20).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 353.09 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 107593334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).