2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H9BrF3N3S — CID 79875521

IUPAC2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cccc(Br)c1
InChIInChI=1S/C13H9BrF3N3S/c14-7-2-1-3-8(6-7)21-12-9(11(18)19)4-5-10(20-12)13(15,16)17/h1-6H,(H3,18,19)
InChIKeyKDAZMJDKRIHCEE-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.30
Rot. Bonds3

About 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79875521) has the molecular formula C13H9BrF3N3S and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79875521
Molecular FormulaC13H9BrF3N3S
Molecular Weight376.20 g/mol
Exact Mass374.97
IUPAC Name2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cccc(Br)c1
InChIInChI=1S/C13H9BrF3N3S/c14-7-2-1-3-8(6-7)21-12-9(11(18)19)4-5-10(20-12)13(15,16)17/h1-6H,(H3,18,19)
InChIKeyKDAZMJDKRIHCEE-UHFFFAOYSA-N
XLogP4.30
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide 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-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
CID 107279964
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
CID 55152641
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877275
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
3-(3-bromophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 62804242
2-(3-chlorophenyl)sulfanyl-6-methylpyridine-3-carboximidamide
CID 55101658
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79875521) is 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is KDAZMJDKRIHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3S/c14-7-2-1-3-8(6-7)21-12-9(11(18)19)4-5-10(20-12)13(15,16)17/h1-6H,(H3,18,19).
What are the key properties of 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 376.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79875521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).