6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C12H8BrF4N3 — CID 102717020

IUPAC6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H8BrF4N3/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(15,16)17)3-10(18)20-11/h1-5H,(H3,18,19,20)
InChIKeyCIQJRHWVWXDSBJ-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.33
Rot. Bonds2

About 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717020) has the molecular formula C12H8BrF4N3 and a molecular weight of 350.11 g/mol. Its IUPAC name is 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717020
Molecular FormulaC12H8BrF4N3
Molecular Weight350.11 g/mol
Exact Mass348.98
IUPAC Name6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H8BrF4N3/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(15,16)17)3-10(18)20-11/h1-5H,(H3,18,19,20)
InChIKeyCIQJRHWVWXDSBJ-UHFFFAOYSA-N
XLogP4.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine 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

6-N-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717889
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970
4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
4-(trifluoromethyl)-6-N-(2,4,6-trifluorophenyl)pyridine-2,6-diamine
CID 102718784
N-(2,4-difluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720931
6-N-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717101
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
6-chloro-N-(2,4-dibromophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715636
6-N-(2-propan-2-ylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717016
6-N-(2-ethylphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717119
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
6-N-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107371102

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717020) is 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is CIQJRHWVWXDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF4N3/c13-7-1-2-9(8(14)5-7)19-11-4-6(12(15,16)17)3-10(18)20-11/h1-5H,(H3,18,19,20).
What are the key properties of 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 350.11 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).