(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C14H12F3NOS — CID 63895500

IUPAC(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3NOS/c1-9-2-3-11(8-18-9)13(19)10-4-6-12(7-5-10)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeyCOTAFANSHVDKIV-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.08
Rot. Bonds3

About (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63895500) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63895500
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCc1ccc(C(O)c2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H12F3NOS/c1-9-2-3-11(8-18-9)13(19)10-4-6-12(7-5-10)20-14(15,16)17/h2-8,13,19H,1H3
InChIKeyCOTAFANSHVDKIV-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63895500) is (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is Cc1ccc(C(O)c2ccc(SC(F)(F)F)cc2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is COTAFANSHVDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-9-2-3-11(8-18-9)13(19)10-4-6-12(7-5-10)20-14(15,16)17/h2-8,13,19H,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 299.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63895500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).