4-[(3-chloro-2-pyridinyl)sulfanyl]aniline

C11H9ClN2S — CID 61370219

IUPAC4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
SMILESNc1ccc(Sc2ncccc2Cl)cc1
InChIInChI=1S/C11H9ClN2S/c12-10-2-1-7-14-11(10)15-9-5-3-8(13)4-6-9/h1-7H,13H2
InChIKeyCHWQQCBWBMCMGN-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.47
Rot. Bonds2

About 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline

4-[(3-chloro-2-pyridinyl)sulfanyl]aniline (PubChem CID 61370219) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
PubChem CID61370219
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
SMILESNc1ccc(Sc2ncccc2Cl)cc1
InChIInChI=1S/C11H9ClN2S/c12-10-2-1-7-14-11(10)15-9-5-3-8(13)4-6-9/h1-7H,13H2
InChIKeyCHWQQCBWBMCMGN-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline (CID 61370219) is 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline is Nc1ccc(Sc2ncccc2Cl)cc1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline?
The InChIKey is CHWQQCBWBMCMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c12-10-2-1-7-14-11(10)15-9-5-3-8(13)4-6-9/h1-7H,13H2.
What are the key properties of 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline?
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline has a molecular weight of 236.73 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)sulfanyl]aniline is sourced from PubChem (CID 61370219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).