4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine

C12H8BrClF3N3 — CID 106747938

IUPAC4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H8BrClF3N3/c13-7-3-6(14)1-2-9(7)20-10-4-11(12(15,16)17)19-5-8(10)18/h1-5H,18H2,(H,19,20)
InChIKeyCEJSXJGGVNMYGT-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.84
Rot. Bonds2

About 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747938) has the molecular formula C12H8BrClF3N3 and a molecular weight of 366.57 g/mol. Its IUPAC name is 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747938
Molecular FormulaC12H8BrClF3N3
Molecular Weight366.57 g/mol
Exact Mass364.95
IUPAC Name4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H8BrClF3N3/c13-7-3-6(14)1-2-9(7)20-10-4-11(12(15,16)17)19-5-8(10)18/h1-5H,18H2,(H,19,20)
InChIKeyCEJSXJGGVNMYGT-UHFFFAOYSA-N
XLogP4.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-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-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
CID 106747202
4-N-(3-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747254
N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 142777197
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
4-N-(5-bromo-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747494
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4-chlorobenzonitrile
CID 106747922
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
4-N-[(2-bromophenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747394
5-bromo-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,4-diamine
CID 103517614
4-N-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747183
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
CID 116649026
2-(2-bromo-4-chloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68621429

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747938) is 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1Nc1ccc(Cl)cc1Br.
What is the InChIKey of 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is CEJSXJGGVNMYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3N3/c13-7-3-6(14)1-2-9(7)20-10-4-11(12(15,16)17)19-5-8(10)18/h1-5H,18H2,(H,19,20).
What are the key properties of 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 366.57 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-chlorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).