6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol

C13H12F2N2OS — CID 79776271

IUPAC6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2SC(F)F)nc1
InChIInChI=1S/C13H12F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)17-7-9-5-6-10(18)8-16-9/h1-6,8,13,17-18H,7H2
InChIKeyHLQPLFKKTPCUKX-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.71
Rot. Bonds5

About 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol

6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol (PubChem CID 79776271) has the molecular formula C13H12F2N2OS and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
PubChem CID79776271
Molecular FormulaC13H12F2N2OS
Molecular Weight282.32 g/mol
Exact Mass282.06
IUPAC Name6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccccc2SC(F)F)nc1
InChIInChI=1S/C13H12F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)17-7-9-5-6-10(18)8-16-9/h1-6,8,13,17-18H,7H2
InChIKeyHLQPLFKKTPCUKX-UHFFFAOYSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-phenylanilino)methyl]pyridin-3-ol
CID 79781629
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
6-(anilinomethyl)pyridin-3-ol
CID 79787965
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562
N-[[4-(difluoromethyl)phenyl]methyl]-2-(difluoromethylsulfanyl)aniline
CID 115523404
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-2,6-difluorophenol
CID 79881285
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281
2-(difluoromethylsulfanyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868732
6-[(2-piperidin-1-ylanilino)methyl]pyridin-3-ol
CID 79781647
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
CID 79163162
2-(difluoromethylsulfanyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883167
2-(difluoromethylsulfanyl)-N-(4,4,4-trifluorobutyl)aniline
CID 115513442

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol (CID 79776271) is 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol is Oc1ccc(CNc2ccccc2SC(F)F)nc1.
What is the InChIKey of 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol?
The InChIKey is HLQPLFKKTPCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)17-7-9-5-6-10(18)8-16-9/h1-6,8,13,17-18H,7H2.
What are the key properties of 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol?
6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol has a molecular weight of 282.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).