2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine

C12H7F3N4S — CID 169325510

IUPAC2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Sc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-1-6-11(17-7-8)20-10-4-2-9(3-5-10)18-19-16/h1-7H
InChIKeyCFBBGDUVHHMVKN-UHFFFAOYSA-N
MW296.28 g/mol
LogP5.19
Rot. Bonds3

About 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine

2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 169325510) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine
PubChem CID169325510
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=Nc1ccc(Sc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-1-6-11(17-7-8)20-10-4-2-9(3-5-10)18-19-16/h1-7H
InChIKeyCFBBGDUVHHMVKN-UHFFFAOYSA-N
XLogP5.19
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.28
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine 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

N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carboxylic acid
CID 115491188
2-(4-azidophenyl)sulfanyl-5-bromopyrimidine
CID 169325124
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]anilino]ethene-1,1,2-tricarbonitrile
CID 168608371
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 102818650
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-2-carbonitrile
CID 55156295
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
CID 91806192
2-cyano-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]acetamide
CID 168522034
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
2-tert-butyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 133331569
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine (CID 169325510) is 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine is [N-]=[N+]=Nc1ccc(Sc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is CFBBGDUVHHMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)8-1-6-11(17-7-8)20-10-4-2-9(3-5-10)18-19-16/h1-7H.
What are the key properties of 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine?
2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 296.28 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenyl)sulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169325510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).