5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine

C13H11BrF3N3 — CID 104534939

IUPAC5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H11BrF3N3/c1-18-9-4-10(7-19-6-9)20-8-2-3-12(14)11(5-8)13(15,16)17/h2-7,18,20H,1H3
InChIKeyKCYGMUBITOEWES-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.65
Rot. Bonds3

About 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine

5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 104534939) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
PubChem CID104534939
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)c1
InChIInChI=1S/C13H11BrF3N3/c1-18-9-4-10(7-19-6-9)20-8-2-3-12(14)11(5-8)13(15,16)17/h2-7,18,20H,1H3
InChIKeyKCYGMUBITOEWES-UHFFFAOYSA-N
XLogP4.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-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

2-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrazine-2,6-diamine
CID 80840633
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
CID 80915262
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
4-[(5-methyl-3-pyridinyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 107585632
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
5-bromo-N-[4-bromo-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26197896
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine (CID 104534939) is 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)c1.
What is the InChIKey of 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is KCYGMUBITOEWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-18-9-4-10(7-19-6-9)20-8-2-3-12(14)11(5-8)13(15,16)17/h2-7,18,20H,1H3.
What are the key properties of 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine?
5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 346.15 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104534939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).