N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine

C9H3BrCl3FN4 — CID 107614970

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1cc(Cl)c(Nc2nc(Cl)nc(Cl)n2)c(Br)c1
InChIInChI=1S/C9H3BrCl3FN4/c10-4-1-3(14)2-5(11)6(4)15-9-17-7(12)16-8(13)18-9/h1-2H,(H,15,16,17,18)
InChIKeyBRBXMGKMVJTCOZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.48
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 107614970) has the molecular formula C9H3BrCl3FN4 and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID107614970
Molecular FormulaC9H3BrCl3FN4
Molecular Weight372.41 g/mol
Exact Mass369.86
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1cc(Cl)c(Nc2nc(Cl)nc(Cl)n2)c(Br)c1
InChIInChI=1S/C9H3BrCl3FN4/c10-4-1-3(14)2-5(11)6(4)15-9-17-7(12)16-8(13)18-9/h1-2H,(H,15,16,17,18)
InChIKeyBRBXMGKMVJTCOZ-UHFFFAOYSA-N
XLogP4.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-(2,6-dichloro-4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 83081927
6-chloro-2-N-(2-chloro-4,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 83083273
6-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83077703
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83088077
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
N-(5-bromo-2,4-difluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 102854532
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-N-(2-bromo-6-chloro-4-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 107617682

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 107614970) is N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is Fc1cc(Cl)c(Nc2nc(Cl)nc(Cl)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is BRBXMGKMVJTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl3FN4/c10-4-1-3(14)2-5(11)6(4)15-9-17-7(12)16-8(13)18-9/h1-2H,(H,15,16,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 372.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 107614970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).