(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

C15H16FNOS — CID 114981098

IUPAC(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cncc(F)c1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H16FNOS/c16-12-6-11(8-17-9-12)15(18)14-7-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2
InChIKeyCDEGQDGAMMGTKM-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (PubChem CID 114981098) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
PubChem CID114981098
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESOC(c1cncc(F)c1)c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H16FNOS/c16-12-6-11(8-17-9-12)15(18)14-7-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2
InChIKeyCDEGQDGAMMGTKM-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The IUPAC name of (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (CID 114981098) is (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is OC(c1cncc(F)c1)c1cc2c(s1)CCCCC2.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The InChIKey is CDEGQDGAMMGTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-12-6-11(8-17-9-12)15(18)14-7-10-4-2-1-3-5-13(10)19-14/h6-9,15,18H,1-5H2.
What are the key properties of (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol has a molecular weight of 277.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 114981098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).