(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol

C15H12FNOS — CID 105096887

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H12FNOS/c1-9-2-3-10(8-17-9)15(18)14-7-11-6-12(16)4-5-13(11)19-14/h2-8,15,18H,1H3
InChIKeyZTGDDDWAYIVBJG-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.83
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol

(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol (PubChem CID 105096887) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
PubChem CID105096887
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(F)ccc3s2)cn1
InChIInChI=1S/C15H12FNOS/c1-9-2-3-10(8-17-9)15(18)14-7-11-6-12(16)4-5-13(11)19-14/h2-8,15,18H,1H3
InChIKeyZTGDDDWAYIVBJG-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(6-methyl-3-pyridinyl)methanol
CID 115796747
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
(5-fluoro-1-benzothiophen-2-yl)-thiophen-3-ylmethanol
CID 105102714
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796740
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol (CID 105096887) is (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol is Cc1ccc(C(O)c2cc3cc(F)ccc3s2)cn1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol?
The InChIKey is ZTGDDDWAYIVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-9-2-3-10(8-17-9)15(18)14-7-11-6-12(16)4-5-13(11)19-14/h2-8,15,18H,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol has a molecular weight of 273.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105096887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).