3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline

C13H12F2N2O2S — CID 63984352

IUPAC3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline
SMILESCOc1cccc(CS(=O)c2c(F)cc(N)cc2F)n1
InChIInChI=1S/C13H12F2N2O2S/c1-19-12-4-2-3-9(17-12)7-20(18)13-10(14)5-8(16)6-11(13)15/h2-6H,7,16H2,1H3
InChIKeyBMHUIQLNESZBKS-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.26
Rot. Bonds4

About 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline

3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline (PubChem CID 63984352) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline
PubChem CID63984352
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline
SMILESCOc1cccc(CS(=O)c2c(F)cc(N)cc2F)n1
InChIInChI=1S/C13H12F2N2O2S/c1-19-12-4-2-3-9(17-12)7-20(18)13-10(14)5-8(16)6-11(13)15/h2-6H,7,16H2,1H3
InChIKeyBMHUIQLNESZBKS-UHFFFAOYSA-N
XLogP2.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline 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

[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-imino-(3-methoxyphenyl)-oxo-lambda6-sulfane
CID 170607290
1-(2-Aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
CID 2809221
4-fluoro-N-(6-methoxy-2-methyl-3-pyridinyl)benzenesulfonamide
CID 71852092
3-Ethylsulfonyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 140278921
3-Propylsulfonyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 140279295
3-Cyclohexylsulfanyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 140279299
3-Cyclohexylsulfonyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 140279338
2-[(2-Methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine
CID 145083621
3-Ethylsulfonyl-6-methoxy-2-(trifluoromethyl)pyridine
CID 156227443
(2R)-1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
CID 6926656
(2S)-1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
CID 6926657
6-(3,4-Difluorophenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43262887

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline?
The IUPAC name of 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline (CID 63984352) is 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline.
What is the SMILES notation for 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline?
The canonical SMILES for 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline is COc1cccc(CS(=O)c2c(F)cc(N)cc2F)n1.
What is the InChIKey of 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline?
The InChIKey is BMHUIQLNESZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-19-12-4-2-3-9(17-12)7-20(18)13-10(14)5-8(16)6-11(13)15/h2-6H,7,16H2,1H3.
What are the key properties of 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline?
3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline has a molecular weight of 298.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(6-methoxy-2-pyridinyl)methylsulfinyl]aniline is sourced from PubChem (CID 63984352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).