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

C14H9F2NOS — CID 105080414

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H9F2NOS/c15-10-1-2-12-8(3-10)5-13(19-12)14(18)9-4-11(16)7-17-6-9/h1-7,14,18H
InChIKeyFRPJYIRAUYQEQI-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.66
Rot. Bonds2

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

(5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 105080414) has the molecular formula C14H9F2NOS and a molecular weight of 277.30 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID105080414
Molecular FormulaC14H9F2NOS
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESOC(c1cncc(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C14H9F2NOS/c15-10-1-2-12-8(3-10)5-13(19-12)14(18)9-4-11(16)7-17-6-9/h1-7,14,18H
InChIKeyFRPJYIRAUYQEQI-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-p-Tolylsulfanyl-thieno[2,3-c]pyridin-2-yl)-methanol
CID 10708446
1-Benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672374
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
CID 658869
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907258
1-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
CID 118911858
4-[5-(4-Fluorophenyl)-3-(1-hydroxy-3-phenylpropyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118911856
[2-(1-Benzothiophen-2-yl)-3-pyridinyl]methanol
CID 46228243
3-(4-Fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol
CID 118708380
[2,4-Bis-(2,4-difluoro-phenyl)-thiophen-3-yl]-pyridin-3-yl-methanol
CID 24744945
[4-(1-Benzothien-7-yl)-2-pyridinyl]methanol
CID 28465214

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol (CID 105080414) is (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol is OC(c1cncc(F)c1)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is FRPJYIRAUYQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NOS/c15-10-1-2-12-8(3-10)5-13(19-12)14(18)9-4-11(16)7-17-6-9/h1-7,14,18H.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 277.30 g/mol, XLogP of 3.66, 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-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 105080414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).