3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol

C10H13F3N2OS — CID 102720381

IUPAC3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C10H13F3N2OS/c1-6(4-16)5-17-9-3-7(10(11,12)13)2-8(14)15-9/h2-3,6,16H,4-5H2,1H3,(H2,14,15)
InChIKeyVSXCWILWTWPTNC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.40
Rot. Bonds4

About 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol (PubChem CID 102720381) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
PubChem CID102720381
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C10H13F3N2OS/c1-6(4-16)5-17-9-3-7(10(11,12)13)2-8(14)15-9/h2-3,6,16H,4-5H2,1H3,(H2,14,15)
InChIKeyVSXCWILWTWPTNC-UHFFFAOYSA-N
XLogP2.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
3-(6-amino-2-ethylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80937587
6-(3-methylbutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107765534
6-[(2-methylphenyl)methylsulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720333
2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 114566873
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80929005
3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80545629
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
6-(2,4-dimethylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720134
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-(2-methoxyphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720288

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol (CID 102720381) is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
The InChIKey is VSXCWILWTWPTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6(4-16)5-17-9-3-7(10(11,12)13)2-8(14)15-9/h2-3,6,16H,4-5H2,1H3,(H2,14,15).
What are the key properties of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol?
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 102720381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).