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

C15H12FNOS — CID 105120051

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H12FNOS/c1-9-4-11(8-17-7-9)15(18)14-6-10-5-12(16)2-3-13(10)19-14/h2-8,15,18H,1H3
InChIKeyLGDKCIPGJSQSRV-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.83
Rot. Bonds2

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

(5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 105120051) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID105120051
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H12FNOS/c1-9-4-11(8-17-7-9)15(18)14-6-10-5-12(16)2-3-13(10)19-14/h2-8,15,18H,1H3
InChIKeyLGDKCIPGJSQSRV-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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol (CID 105120051) is (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2cc3cc(F)ccc3s2)c1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is LGDKCIPGJSQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-9-4-11(8-17-7-9)15(18)14-6-10-5-12(16)2-3-13(10)19-14/h2-8,15,18H,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(5-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)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 105120051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).